Tdc Admet Benchmarking Group On Tdcommons

Metrics

TDC.Caco2_Wang

Results

Performance results of various models on this benchmark

		Paper Title
MapLight	0.276	ADMET property prediction through combinations of molecular fingerprints
AttentiveFP	0.401	Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development
Galactica-GAL-120B	-	Galactica: A Large Language Model for Science
Galactica-GAL-125M	-	Galactica: A Large Language Model for Science
XGBoost	0.288	Accurate ADMET Prediction with XGBoost
AttrMasking	0.546	Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development
GCN	0.599	Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development
Galactica-GAL-30B	-	Galactica: A Large Language Model for Science
MLP-RDKit2D	0.393	Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development
Galactica-GAL-6.7B	-	Galactica: A Large Language Model for Science
DeepMol	0.297	DeepMol: An Automated Machine and Deep Learning Framework for Computational Chemistr
Galactica-GAL-1.3B	-	Galactica: A Large Language Model for Science

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