Therapeutics Data Commons on tdcommons

Metric: TDC.CYP2D6_Substrate_CarbonMangels (higher is better)

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#	Model↕	TDC.CYP2D6_Substrate_CarbonMangels▼	Extra Data	Paper	Date↕	Code
1	AttrMasking	0.704	No	Therapeutics Data Commons: Machine Learning Data...	2021-02-18	Code
2	MLP-RDKit2D	0.677	No	Therapeutics Data Commons: Machine Learning Data...	2021-02-18	Code
3	GCN	0.617	No	Therapeutics Data Commons: Machine Learning Data...	2021-02-18	Code
4	AttentiveFP	0.574	No	Therapeutics Data Commons: Machine Learning Data...	2021-02-18	Code
5	XGBoost	0.387	No	Accurate ADMET Prediction with XGBoost	2022-04-15	Code

#1AttrMaskingSOTA
0.704
TDC.CYP2D6_Substrate_CarbonMangels· 2021-02-18
Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development Code
#2MLP-RDKit2D
0.677
TDC.CYP2D6_Substrate_CarbonMangels· 2021-02-18
Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development Code
#3GCN
0.617
TDC.CYP2D6_Substrate_CarbonMangels· 2021-02-18
Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development Code
#4AttentiveFP
0.574
TDC.CYP2D6_Substrate_CarbonMangels· 2021-02-18
Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development Code
#5XGBoost
0.387
TDC.CYP2D6_Substrate_CarbonMangels· 2022-04-15
Accurate ADMET Prediction with XGBoost Code