Therapeutics Data Commons on tdcommons

Metric: TDC.Solubility_AqSolDB (higher is better)

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#	Model↕	TDC.Solubility_AqSolDB▼	Extra Data	Paper	Date↕	Code
1	AttrMasking	1.026	No	Therapeutics Data Commons: Machine Learning Data...	2021-02-18	Code
2	GCN	0.907	No	Therapeutics Data Commons: Machine Learning Data...	2021-02-18	Code
3	MLP-RDKit2D	0.827	No	Therapeutics Data Commons: Machine Learning Data...	2021-02-18	Code
4	AttentiveFP	0.776	No	Therapeutics Data Commons: Machine Learning Data...	2021-02-18	Code
5	XGBoost	0.727	No	Accurate ADMET Prediction with XGBoost	2022-04-15	Code

#1AttrMaskingSOTA
1.026
TDC.Solubility_AqSolDB· 2021-02-18
Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development Code
#2GCN
0.907
TDC.Solubility_AqSolDB· 2021-02-18
Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development Code
#3MLP-RDKit2D
0.827
TDC.Solubility_AqSolDB· 2021-02-18
Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development Code
#4AttentiveFP
0.776
TDC.Solubility_AqSolDB· 2021-02-18
Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development Code
#5XGBoost
0.727
TDC.Solubility_AqSolDB· 2022-04-15
Accurate ADMET Prediction with XGBoost Code