Drug Discovery on tdcommons

Metric: TDC.Bioavailability_Ma (higher is better)

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#	Model↕	TDC.Bioavailability_Ma▼	Extra Data	Paper	Date↕	Code
1	XGBoost	0.7	No	Accurate ADMET Prediction with XGBoost	2022-04-15	Code
2	MLP-RDKit2D	0.672	No	Therapeutics Data Commons: Machine Learning Data...	2021-02-18	Code
3	AttentiveFP	0.632	No	Therapeutics Data Commons: Machine Learning Data...	2021-02-18	Code
4	AttrMasking	0.577	No	Therapeutics Data Commons: Machine Learning Data...	2021-02-18	Code
5	GCN	0.566	No	Therapeutics Data Commons: Machine Learning Data...	2021-02-18	Code

#1XGBoostSOTA
0.7
TDC.Bioavailability_Ma· 2022-04-15
Accurate ADMET Prediction with XGBoost Code
#2MLP-RDKit2DSOTA
0.672
TDC.Bioavailability_Ma· 2021-02-18
Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development Code
#3AttentiveFP
0.632
TDC.Bioavailability_Ma· 2021-02-18
Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development Code
#4AttrMasking
0.577
TDC.Bioavailability_Ma· 2021-02-18
Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development Code
#5GCN
0.566
TDC.Bioavailability_Ma· 2021-02-18
Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development Code