Drug Discovery on tdcommons

Metric: TDC.Clearance_Hepatocyte_AZ (higher is better)

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#	Model↕	TDC.Clearance_Hepatocyte_AZ▼	Extra Data	Paper	Date↕	Code
1	XGBoost	0.587	No	Accurate ADMET Prediction with XGBoost	2022-04-15	Code
2	AttrMasking	0.413	No	Therapeutics Data Commons: Machine Learning Data...	2021-02-18	Code
3	MLP-RDKit2D	0.382	No	Therapeutics Data Commons: Machine Learning Data...	2021-02-18	Code
4	GCN	0.366	No	Therapeutics Data Commons: Machine Learning Data...	2021-02-18	Code
5	AttentiveFP	0.289	No	Therapeutics Data Commons: Machine Learning Data...	2021-02-18	Code

#1XGBoostSOTA
0.587
TDC.Clearance_Hepatocyte_AZ· 2022-04-15
Accurate ADMET Prediction with XGBoost Code
#2AttrMaskingSOTA
0.413
TDC.Clearance_Hepatocyte_AZ· 2021-02-18
Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development Code
#3MLP-RDKit2D
0.382
TDC.Clearance_Hepatocyte_AZ· 2021-02-18
Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development Code
#4GCN
0.366
TDC.Clearance_Hepatocyte_AZ· 2021-02-18
Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development Code
#5AttentiveFP
0.289
TDC.Clearance_Hepatocyte_AZ· 2021-02-18
Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development Code