Activity

Classification / Activity

Ace Inhibitors

Traditional · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Ace Inhibitors

PU · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Ace Inhibitors

Biologically · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Ace Inhibitors

Mix-Traditional · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Ace Inhibitors

Mix-PU · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Ace Inhibitors

Mix-Biologically · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Antibacterial Activity

Traditional · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Antibacterial Activity

PU · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Antibacterial Activity

Biologically · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Antibacterial Activity

Mix-Traditional · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Antibacterial Activity

Mix-PU · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Antibacterial Activity

Mix-Biologically · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Anticancer Activity

Traditional · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Anticancer Activity

PU · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Anticancer Activity

Biologically · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Anticancer Activity

Mix-Traditional · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Anticancer Activity

Mix-PU · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Anticancer Activity

Mix-Biologically · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Antidiabetic Activity

Traditional · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Antidiabetic Activity

PU · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Antidiabetic Activity

Biologically · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Antidiabetic Activity

Mix-Traditional · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Antidiabetic Activity

Mix-PU · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Antidiabetic Activity

Mix-Biologically · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Antifouling Activity

Traditional · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Antifouling Activity

PU · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Antifouling Activity

Biologically · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Antifouling Activity

Mix-Traditional · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Antifouling Activity

Mix-PU · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Antifouling Activity

Mix-Biologically · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Antifungal Activity

Traditional · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Antifungal Activity

PU · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Antifungal Activity

Biologically · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Antifungal Activity

Mix-Traditional · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Antifungal Activity

Mix-PU · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Antifungal Activity

Mix-Biologically · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Antihypertensive Activity

Traditional · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Antihypertensive Activity

PU · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Antihypertensive Activity

Biologically · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Antihypertensive Activity

Mix-Traditional · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Antihypertensive Activity

Mix-PU · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Antihypertensive Activity

Mix-Biologically · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Antiinflammatory Activity

Traditional · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Antiinflammatory Activity

PU · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Antiinflammatory Activity

Biologically · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Antiinflammatory Activity

Mix-Traditional · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Antiinflammatory Activity

Mix-PU · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Antiinflammatory Activity

Mix-Biologically · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Antioxidant Activity

Traditional · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Antioxidant Activity

PU · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Antioxidant Activity

Biologically · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Antioxidant Activity

Mix-Traditional · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Antioxidant Activity

Mix-PU · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Antioxidant Activity

Mix-Biologically · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Antiparasitic Activity

Traditional · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Antiparasitic Activity

PU · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Antiparasitic Activity

Biologically · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Antiparasitic Activity

Mix-Traditional · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Antiparasitic Activity

Mix-PU · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Antiparasitic Activity

Mix-Biologically · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Antiviral Activity

Traditional · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Antiviral Activity

PU · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Antiviral Activity

Biologically · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Antiviral Activity

Mix-Traditional · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Antiviral Activity

Mix-PU · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Antiviral Activity

Mix-Biologically · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Bitter Activity

Traditional · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Bitter Activity

PU · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Bitter Activity

Biologically · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Bitter Activity

Mix-Traditional · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Bitter Activity

Mix-PU · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Bitter Activity

Mix-Biologically · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Blood Brain Barrier Activity

Traditional · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Blood Brain Barrier Activity

PU · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Blood Brain Barrier Activity

Biologically · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Blood Brain Barrier Activity

Mix-Traditional · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Blood Brain Barrier Activity

Mix-PU · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Blood Brain Barrier Activity

Mix-Biologically · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Cell Penetrating Peptides Activity

Traditional · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Cell Penetrating Peptides Activity

PU · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Cell Penetrating Peptides Activity

Biologically · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Cell Penetrating Peptides Activity

Mix-Traditional · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Cell Penetrating Peptides Activity

Mix-PU · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Cell Penetrating Peptides Activity

Mix-Biologically · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Hemolysis Activity

Traditional · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Hemolysis Activity

PU · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Hemolysis Activity

Biologically · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Hemolysis Activity

Mix-Traditional · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Hemolysis Activity

Mix-PU · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Hemolysis Activity

Mix-Biologically · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Idppiv Activity

Traditional · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Idppiv Activity

PU · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Idppiv Activity

Biologically · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Idppiv Activity

Mix-Traditional · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Idppiv Activity

Mix-PU · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Idppiv Activity

Mix-Biologically · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Neuropeptide Activity

Traditional · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Neuropeptide Activity

PU · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Neuropeptide Activity

Biologically · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Neuropeptide Activity

Mix-Traditional · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Neuropeptide Activity

Mix-PU · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Neuropeptide Activity

Mix-Biologically · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Neurotoxin Activity

Traditional · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Neurotoxin Activity

PU · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Neurotoxin Activity

Biologically · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Neurotoxin Activity

Mix-Traditional · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Neurotoxin Activity

Mix-PU · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Neurotoxin Activity

Mix-Biologically · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Quorum Sensing Activity

Traditional · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Quorum Sensing Activity

PU · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Quorum Sensing Activity

Biologically · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Quorum Sensing Activity

Mix-Traditional · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Quorum Sensing Activity

Mix-PU · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Quorum Sensing Activity

Mix-Biologically · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Toxicity Activity

Traditional · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Toxicity Activity

PU · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Toxicity Activity

Biologically · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Toxicity Activity

Mix-Traditional · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Toxicity Activity

Mix-PU · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Toxicity Activity

Mix-Biologically · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Tumor Homing Peptides Activity

Traditional · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Tumor Homing Peptides Activity

PU · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Tumor Homing Peptides Activity

Biologically · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Tumor Homing Peptides Activity

Mix-Traditional · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Tumor Homing Peptides Activity

Mix-PU · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Tumor Homing Peptides Activity

Mix-Biologically · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Tumor T Cell Antigens Activity

Traditional · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Tumor T Cell Antigens Activity

PU · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Tumor T Cell Antigens Activity

Biologically · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Tumor T Cell Antigens Activity

Mix-Traditional · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Tumor T Cell Antigens Activity

Mix-PU · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Tumor T Cell Antigens Activity

Mix-Biologically · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Umami Activity

Traditional · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Umami Activity

PU · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Umami Activity

Biologically · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Umami Activity

Mix-Traditional · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Umami Activity

Mix-PU · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count

Classification / Activity

Umami Activity

Mix-Biologically · 26 models · Click a metric to switch the chart

roc_auc pr_auc mcc precision recall f1 accuracy

M1BiLSTM-FASTA M2BiLSTM-SMILES M3CNN-BiLSTM-FASTA M4CNN-BiLSTM-SMILES M5CNN-FASTA M6CNN-SMILES M7Transformer encoder-FASTA M8Transformer encoder-SMILES M9GAT-atom graph M10GCN-atom graph M11GIN-atom graph M12GAT-residue graph M13GCN-residue graph M14GIN-residue graph M15ChemBERTa frozen embedding + MLP M16DPLM frozen embedding + MLP M17ESM2 frozen embedding + MLP M18PepDoRA frozen embedding + MLP M19PeptideCLM frozen embedding + MLP M20ProtBERT frozen embedding + MLP M21LightGBM + 427-dimensional sequence features M22LightGBM + ECFP4-count M23RF + 427-dimensional sequence features M24RF + ECFP4-count M25XGBoost + 427-dimensional sequence features M26XGBoost + ECFP4-count