Drug Discovery on tdcommons

Metric: TDC.hERG (higher is better)

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#	Model↕	TDC.hERG▼	Extra Data	Paper	Date↕	Code
1	MLP-RDKit2D	0.841	No	Therapeutics Data Commons: Machine Learning Data...	2021-02-18	Code
2	AttentiveFP	0.825	No	Therapeutics Data Commons: Machine Learning Data...	2021-02-18	Code
3	XGBoost	0.806	No	Accurate ADMET Prediction with XGBoost	2022-04-15	Code
4	AttrMasking	0.778	No	Therapeutics Data Commons: Machine Learning Data...	2021-02-18	Code
5	GCN	0.738	No	Therapeutics Data Commons: Machine Learning Data...	2021-02-18	Code

#1MLP-RDKit2DSOTA
0.841
TDC.hERG· 2021-02-18
Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development Code
#2AttentiveFP
0.825
TDC.hERG· 2021-02-18
Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development Code
#3XGBoost
0.806
TDC.hERG· 2022-04-15
Accurate ADMET Prediction with XGBoost Code
#4AttrMasking
0.778
TDC.hERG· 2021-02-18
Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development Code
#5GCN
0.738
TDC.hERG· 2021-02-18
Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development Code