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Molecular Property Regression on PharmaBench

18.471CYP2C9 Prediction

RF

Updated 9d ago

Evaluation Results

Method	Links
RF 2026.04		18.471	18.041	16.54	0.813	0.987	0.958	1.249	0.204	0.918
CMPNN 2026.04		18.377	19.156	16.701	0.921	1.13	0.939	0.807	0.236	0.858
Trans-M 2026.04		18.08	17.677	15.867	0.567	0.744	0.677	0.737	0.172	0.834
FraGAT 2026.04		17.788	22.503	20.313	0.775	0.849	1.05	0.945	0.22	1.352
UniMol 2026.04		17.774	18.071	15.895	0.613	0.824	0.651	0.745	0.179	0.707
XGBoost 2026.04		17.582	17.819	16.123	0.647	0.844	0.819	1.071	0.186	0.832
PharmHGT 2026.04		17.49	15.02	16.077	0.544	0.82	0.677	0.676	0.172	0.954
DHTNN 2026.04		17.449	17.89	16.156	0.729	0.926	0.915	0.912	0.235	0.828
MPG 2026.04		17.417	17.527	14.376	0.541	0.723	0.685	0.758	0.17	0.758
GraphFP 2026.04		17.367	21.183	17.219	0.764	0.878	0.771	0.835	0.208	1.935
KANO 2026.04		17.35	17.622	15.307	0.554	0.767	0.762	0.766	0.185	0.772
KP-GPT 2026.04		17.036	16.86	16.379	0.564	0.726	0.881	0.728	0.172	1.221
FPGNN 2026.04		16.933	17.611	15.606	0.604	0.774	0.716	0.838	0.179	0.747
FragFormer 2026.04		16.855	14.425	15.894	0.514	0.702	0.596	0.667	0.157	0.895
BiScale-GTR 2026.04		16.633	16.901	16.011	0.501	0.696	0.571	0.801	0.153	0.977