Molecular Property Regression on PharmaBench benchmark leaderboard · SOTA2 Research

Molecular Property Regression on PharmaBench

18.471CYP2C9 PredictionRF

Evaluation Results

Method	Links
RF2026.04		18.471	18.041	16.54	0.813	0.987	0.958	1.249	0.204	0.918
CMPNN2026.04		18.377	19.156	16.701	0.921	1.13	0.939	0.807	0.236	0.858
Trans-M2026.04		18.08	17.677	15.867	0.567	0.744	0.677	0.737	0.172	0.834
FraGAT2026.04		17.788	22.503	20.313	0.775	0.849	1.05	0.945	0.22	1.352
UniMol2026.04		17.774	18.071	15.895	0.613	0.824	0.651	0.745	0.179	0.707
XGBoost2026.04		17.582	17.819	16.123	0.647	0.844	0.819	1.071	0.186	0.832
PharmHGT2026.04		17.49	15.02	16.077	0.544	0.82	0.677	0.676	0.172	0.954
DHTNN2026.04		17.449	17.89	16.156	0.729	0.926	0.915	0.912	0.235	0.828
MPG2026.04		17.417	17.527	14.376	0.541	0.723	0.685	0.758	0.17	0.758
GraphFP2026.04		17.367	21.183	17.219	0.764	0.878	0.771	0.835	0.208	1.935
KANO2026.04		17.35	17.622	15.307	0.554	0.767	0.762	0.766	0.185	0.772
KP-GPT2026.04		17.036	16.86	16.379	0.564	0.726	0.881	0.728	0.172	1.221
FPGNN2026.04		16.933	17.611	15.606	0.604	0.774	0.716	0.838	0.179	0.747
FragFormer2026.04		16.855	14.425	15.894	0.514	0.702	0.596	0.667	0.157	0.895
BiScale-GTR2026.04		16.633	16.901	16.011	0.501	0.696	0.571	0.801	0.153	0.977