Drug Discovery on tdcommons

Metric: TDC.AMES (higher is better)

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#	Model↕	TDC.AMES▼	Extra Data	Paper	Date↕	Code
1	XGBoost	0.859	No	Accurate ADMET Prediction with XGBoost	2022-04-15	Code
2	AttrMasking	0.842	No	Therapeutics Data Commons: Machine Learning Data...	2021-02-18	Code
3	MLP-RDKit2D	0.823	No	Therapeutics Data Commons: Machine Learning Data...	2021-02-18	Code
4	GCN	0.818	No	Therapeutics Data Commons: Machine Learning Data...	2021-02-18	Code
5	AttentiveFP	0.814	No	Therapeutics Data Commons: Machine Learning Data...	2021-02-18	Code

#1XGBoostSOTA
0.859
TDC.AMES· 2022-04-15
Accurate ADMET Prediction with XGBoost Code
#2AttrMaskingSOTA
0.842
TDC.AMES· 2021-02-18
Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development Code
#3MLP-RDKit2D
0.823
TDC.AMES· 2021-02-18
Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development Code
#4GCN
0.818
TDC.AMES· 2021-02-18
Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development Code
#5AttentiveFP
0.814
TDC.AMES· 2021-02-18
Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development Code