SOTA ADMET Properties Prediction benchmarks and papers with code

Benchmarks

Dataset Name	SOTA Method	Metric
TDC AMES	DRUGSAGE	AUROC0.878	12	16d ago
TDC DILI	TDC SOTA	AUROC95.6	12	2mo ago
TDC Half Life Obach	TDC SOTA	Spearman Correlation0.576	12	2mo ago
TDC PPBR AZ	TDC SOTA	MAE7.44	12	2mo ago
TDC Caco2 Wang	TDC SOTA	MAE0.256	12	2mo ago
TDC hERG	TxGemma-27B	AUROC88.5	7	3mo ago
TDC LD50 Zhu	TDC SOTA	MAE0.552	7	3mo ago
TDC CYP3A4 Veith	TDC SOTA	AUPRC91.6	7	3mo ago
TDC CYP3A4 Substrate CM	LFM2-2.6B-MMAI	AUROC71.9	7	3mo ago
TDC CYP2D6 Veith	TDC SOTA	AUPRC79	7	3mo ago
TDC CYP2D6 Substrate CM	TDC SOTA	AUPRC73.6	7	3mo ago
TDC CYP2C9 Veith	TDC SOTA	AUPRC85.9	7	3mo ago
TDC CYP2C9 Substrate CM	TDC SOTA	AUPRC47.4	7	3mo ago
TDC Bioavailability Ma	TDC SOTA	AUROC94.2	7	3mo ago
TDC BBB Martins	LFM2-2.6B-MMAI	AUROC93	7	3mo ago
TDC HIA Hou	TDC SOTA	AUROC99.3	7	3mo ago
TDC Pgp Broccatelli	TDC SOTA	AUROC93.8	7	3mo ago
TDC Clearance Hepatocyte AZ	TDC SOTA	Spearman Correlation0.536	7	3mo ago
TDC Clearance Microsome AZ	TDC SOTA	Spearman Correlation0.63	7	3mo ago
TDC VDss Lombardo	TDC SOTA	Spearman Correlation0.713	7	3mo ago
TDC Solubility AqSolDB	TDC SOTA	MAE0.741	7	3mo ago
TDC Lipophilicity AZ	LFM2-2.6B-MMAI	MAE0.434	7	3mo ago

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