List your company
ResearchFormerly WizWand

Binary Classification on MoleculeNet ClinTox DeepChem (test)

95.6ROC AUCDMP_TF+GNN
21.03240.39159.7579.109Jun 17, 2021Aug 30, 2021Nov 12, 2021Jan 25, 2022Apr 9, 2022Jun 22, 2022Sep 5, 2022
Updated 8mo ago

Evaluation results

MethodLinks
DMP_TF+GNN2021.0695.6
DMP_TF (100M)2021.0695.5
DMP_TF2021.0695
DMP_GNN (100M)2021.0694.7
DMP_GNN2021.0694.2
TF (MLM) + GNN (MLM)2021.0694
DMP_TF w/o MLM2021.0693.8
MolCLR2021.0693.2
TF (MLM)2021.0692.9
GNN (x2)2021.0692.8
GNN (MLM)2021.0692.3
TF (x2)2021.0692
GCNEvaluation Protocol=Fine-tuned2022.0990.7
D-MPNNEvaluation Protocol=Fine-tuned2022.0990.6
D-MPNN2021.0690.5
Hu et al.2021.0678.9
RFEvaluation Protocol=Fine-tuned2022.0978.29
ChemBERTa-1Evaluation Protocol=Fine-tuned2022.0973.3
RF2021.0671.3
SVM2021.0666.9
MGCN2021.0663.4
ChemBERTa-2Pre-training Task=MTR, Pre-training Dataset Size=10M, Evaluation Protocol=Fine-tuned2022.0960.1
ChemBERTa-2Pre-training Task=MTR, Pre-training Dataset Size=77M, Evaluation Protocol=Fine-tuned2022.0956.3
ChemBERTa-2Pre-training Task=MTR, Pre-training Dataset Size=5M, Evaluation Protocol=Fine-tuned2022.0955.2
ChemBERTa-2Pre-training Task=MLM, Pre-training Dataset Size=10M, Evaluation Protocol=Fine-tuned2022.0934.9
ChemBERTa-2Pre-training Task=MLM, Pre-training Dataset Size=5M, Evaluation Protocol=Fine-tuned2022.0934.1
ChemBERTa-2Pre-training Task=MLM, Pre-training Dataset Size=77M, Evaluation Protocol=Fine-tuned2022.0923.9