Molecular Optimization on Therapeutic Data Commons (TDC) top-10 performance benchmark leaderboard · SOTA2 Research

Molecular Optimization on Therapeutic Data Commons (TDC) top-10 performance

0.486Amlodipine MPO ScoreMolReAct

Evaluation Results

Method	Links
MolReAct2026.04		0.486	0.367	0.981	0.717	0.722	0.53	0.175	0.178	0.805	0.477	0.781	0.885	0.35	0.434	0.563
SynFormer2026.04		0.452	0.37	1	0.76	0.61	0.47	0.234	0.151	0.819	0.46	0.795	0.918	0.295	0.429	0.51
Graph GA2026.04		0.441	0.239	0.966	0.664	0.791	0.448	0.158	0.155	0.735	0.368	0.465	0.909	0.335	0.375	0.5
ReaSyn2026.04		0.438	0.224	1	0.684	0.66	0.47	0.175	0.166	0.731	0.381	0.657	0.976	0.283	0.326	0.458
DrugAssist2026.04		0.428	0.2	0.679	0.589	0.319	0.243	0.102	0.135	0.731	0.363	0.458	0.652	0.002	0.236	0.367
LDMOL2026.04		0.402	0.198	0.651	0.535	0.396	0.283	0.108	0.139	0.553	0.321	0.17	0.724	0.014	0.217	0.336
mCLM2026.04		0.387	0.213	0.236	0.545	0.173	0.078	0.125	0.141	0.703	0.36	0.195	0.654	0.044	0.347	0.3