Regression

Regression benchmark results.

Task

Regression

Caco-2 Permeability

13 models · Click a metric to switch the chart

M1RF + ECFP4-count M2XGBoost + ECFP4-count M3LightGBM + ECFP4-count M4BiLSTM-SMILES M5CNN-BiLSTM-SMILES M6PeptideCLM frozen embedding + MLP M7ChemBERTa frozen embedding + MLP M8CNN-SMILES M9PepDoRA frozen embedding + MLP M10GCN-atom graph M11GAT-atom graph M12GIN-atom graph M13Transformer-SMILES

Regression

Half-life

13 models · Click a metric to switch the chart

M1XGBoost + 427-dimensional sequence features M2CNN-BiLSTM-FASTA M3RF + 427-dimensional sequence features M4LightGBM + 427-dimensional sequence features M5BiLSTM-FASTA M6GCN residue graph 23D M7CNN-FASTA M8Transformer-FASTA M9ESM2 frozen embedding + MLP M10DPLM frozen embedding + MLP M11GIN residue graph 23D M12GAT residue graph 23D M13ProtBERT frozen embedding + MLP

Regression

PAMPA

13 models · Click a metric to switch the chart

M1LightGBM + ECFP4-count M2XGBoost + ECFP4-count M3RF + ECFP4-count M4BiLSTM-SMILES M5PeptideCLM frozen embedding + MLP M6GIN-atom graph M7CNN-BiLSTM-SMILES M8GAT-atom graph M9ChemBERTa frozen embedding + MLP M10GCN-atom graph M11CNN-SMILES M12PepDoRA frozen embedding + MLP M13Transformer-SMILES