Drug Discovery on tdcommons

Metric: TDC.Caco2_Wang (higher is better)

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#	Model↕	TDC.Caco2_Wang▼	Extra Data	Paper	Date↕	Code
1	GCN	0.599	No	Therapeutics Data Commons: Machine Learning Data...	2021-02-18	Code
2	AttrMasking	0.546	No	Therapeutics Data Commons: Machine Learning Data...	2021-02-18	Code
3	AttentiveFP	0.401	No	Therapeutics Data Commons: Machine Learning Data...	2021-02-18	Code
4	MLP-RDKit2D	0.393	No	Therapeutics Data Commons: Machine Learning Data...	2021-02-18	Code
5	DeepMol	0.297	No	-	-	Code
6	XGBoost	0.288	No	Accurate ADMET Prediction with XGBoost	2022-04-15	Code
7	MapLight	0.276	No	ADMET property prediction through combinations o...	2023-09-29	Code

#1GCNSOTA
0.599
TDC.Caco2_Wang· 2021-02-18
Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development Code
#2AttrMasking
0.546
TDC.Caco2_Wang· 2021-02-18
Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development Code
#3AttentiveFP
0.401
TDC.Caco2_Wang· 2021-02-18
Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development Code
#4MLP-RDKit2D
0.393
TDC.Caco2_Wang· 2021-02-18
Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development Code
#5DeepMol
0.297
TDC.Caco2_Wang
No paperCode
#6XGBoost
0.288
TDC.Caco2_Wang· 2022-04-15
Accurate ADMET Prediction with XGBoost Code
#7MapLight
0.276
TDC.Caco2_Wang· 2023-09-29
ADMET property prediction through combinations of molecular fingerprints Code