TDC ADMET Benchmarking Group on tdcommons

24개 결과 · ⬇ CSV · JSON

TDC.Caco2_Wang

Rank	Model	TDC.Caco2_Wang	TDC.HIA_Hou	TDC.Pgp_Broccatelli	TDC.Bioavailability_Ma	TDC.Lipophilicity_AstraZeneca	TDC.Solubility_AqSolDB	TDC.BBB_Martins	TDC.PPBR_AZ	Paper	Code	Year
1	MapLight	0.276	–	–	–	–	–	–	–	ADMET property prediction through combinations of molecular fingerprints	maplightrx/maplight-tdc	2023
2	XGBoost	0.288	0.987	0.911	0.7	0.533	0.727	0.905	8.251	Accurate ADMET Prediction with XGBoost	smu-tao-group/ADMET_XGBoost	2022
3	DeepMol	0.297	–	–	–	–	–	–	–	DeepMol: An Automated Machine and Deep Learning Framework for Computational Chemistr	BioSystemsUM/DeepMol	2024
4	MLP-RDKit2D	0.393	0.972	0.918	0.672	0.574	0.827	0.889	9.994	Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development	mims-harvard/TDC · yzhao062/yzhao062	2021
5	AttentiveFP	0.401	0.974	0.892	0.632	0.572	0.776	0.855	9.373	Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development	mims-harvard/TDC · yzhao062/yzhao062	2021
6	AttrMasking	0.546	0.978	0.929	0.577	0.547	1.026	0.892	10.075	Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development	mims-harvard/TDC · yzhao062/yzhao062	2021
7	GCN	0.599	0.936	0.895	0.566	0.541	0.907	0.842	10.194	Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development	mims-harvard/TDC · yzhao062/yzhao062	2021
8	Galactica-GAL-120B	–	–	–	–	–	–	0.661	–	Galactica: A Large Language Model for Science	paperswithcode/galai	2022
9	Galactica-GAL-1.3B	–	–	–	–	–	–	0.604	–	Galactica: A Large Language Model for Science	paperswithcode/galai	2022
10	Galactica-GAL-30B	–	–	–	–	–	–	0.596	–	Galactica: A Large Language Model for Science	paperswithcode/galai	2022
11	Galactica-GAL-6.7B	–	–	–	–	–	–	0.535	–	Galactica: A Large Language Model for Science	paperswithcode/galai	2022
12	Galactica-GAL-125M	–	–	–	–	–	–	0.393	–	Galactica: A Large Language Model for Science	paperswithcode/galai	2022
13	MapLight	0.276	–	–	–	–	–	–	–	ADMET property prediction through combinations of molecular fingerprints	maplightrx/maplight-tdc	2023
14	XGBoost	0.288	0.987	0.911	0.7	0.533	0.727	0.905	8.251	Accurate ADMET Prediction with XGBoost	smu-tao-group/ADMET_XGBoost	2022
15	DeepMol	0.297	–	–	–	–	–	–	–	DeepMol: An Automated Machine and Deep Learning Framework for Computational Chemistr	BioSystemsUM/DeepMol	2024
16	MLP-RDKit2D	0.393	0.972	0.918	0.672	0.574	0.827	0.889	9.994	Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development	mims-harvard/TDC · yzhao062/yzhao062	2021
17	AttentiveFP	0.401	0.974	0.892	0.632	0.572	0.776	0.855	9.373	Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development	mims-harvard/TDC · yzhao062/yzhao062	2021
18	AttrMasking	0.546	0.978	0.929	0.577	0.547	1.026	0.892	10.075	Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development	mims-harvard/TDC · yzhao062/yzhao062	2021
19	GCN	0.599	0.936	0.895	0.566	0.541	0.907	0.842	10.194	Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development	mims-harvard/TDC · yzhao062/yzhao062	2021
20	Galactica-GAL-120B	–	–	–	–	–	–	0.661	–	Galactica: A Large Language Model for Science	paperswithcode/galai	2022