Drug Discovery on tdcommons

Metric: TDC.CYP2D6_Inhibition_Veith (higher is better)

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#	Model↕	TDC.CYP2D6_Inhibition_Veith▼	Extra Data	Paper	Date↕	Code
1	XGBoost	0.794	No	Accurate ADMET Prediction with XGBoost	2022-04-15	Code
2	AttrMasking	0.721	No	Therapeutics Data Commons: Machine Learning Data...	2021-02-18	Code
3	AttentiveFP	0.646	No	Therapeutics Data Commons: Machine Learning Data...	2021-02-18	Code
4	MLP-RDKit2D	0.616	No	Therapeutics Data Commons: Machine Learning Data...	2021-02-18	Code
5	GCN	0.616	No	Therapeutics Data Commons: Machine Learning Data...	2021-02-18	Code

#1XGBoostSOTA
0.794
TDC.CYP2D6_Inhibition_Veith· 2022-04-15
Accurate ADMET Prediction with XGBoost Code
#2AttrMaskingSOTA
0.721
TDC.CYP2D6_Inhibition_Veith· 2021-02-18
Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development Code
#3AttentiveFP
0.646
TDC.CYP2D6_Inhibition_Veith· 2021-02-18
Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development Code
#4MLP-RDKit2D
0.616
TDC.CYP2D6_Inhibition_Veith· 2021-02-18
Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development Code
#5GCN
0.616
TDC.CYP2D6_Inhibition_Veith· 2021-02-18
Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development Code