Therapeutics Data Commons on tdcommons

Metric: TDC.DILI (higher is better)

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#	Model↕	TDC.DILI▼	Extra Data	Paper	Date↕	Code
1	XGBoost	0.933	No	Accurate ADMET Prediction with XGBoost	2022-04-15	Code
2	AttrMasking	0.919	No	Therapeutics Data Commons: Machine Learning Data...	2021-02-18	Code
3	AttentiveFP	0.886	No	Therapeutics Data Commons: Machine Learning Data...	2021-02-18	Code
4	MLP-RDKit2D	0.875	No	Therapeutics Data Commons: Machine Learning Data...	2021-02-18	Code
5	GCN	0.859	No	Therapeutics Data Commons: Machine Learning Data...	2021-02-18	Code

#1XGBoostSOTA
0.933
TDC.DILI· 2022-04-15
Accurate ADMET Prediction with XGBoost Code
#2AttrMaskingSOTA
0.919
TDC.DILI· 2021-02-18
Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development Code
#3AttentiveFP
0.886
TDC.DILI· 2021-02-18
Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development Code
#4MLP-RDKit2D
0.875
TDC.DILI· 2021-02-18
Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development Code
#5GCN
0.859
TDC.DILI· 2021-02-18
Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development Code