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Multi-objective molecular optimization (GSK3β+JNK3) on ZINC20

87.99Diversity (Div)SMILES LSTM
66.378871.989477.683.2106Mar 27, 2026

Evaluation results

MethodLinks
SMILES LSTM2026.0387.9999.94
STONED2026.0383.1399.97
GPT4o-mini2026.0380.6797.78
EAG2026.0380.4599
GRAPH GA2026.0377.1799.95
Drugassist2026.0375.0799.34
SMILES GA2026.0374.6599.94
ATOM2026.0370.299.99
GB PO2026.0367.2199.67