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

0.486Amlodipine MPO ScoreMolReAct
0.383040.409770.43650.46323Apr 9, 2026

Evaluation results

MethodLinks
MolReActSynthesizable=true2026.040.4860.3670.9810.7170.7220.530.1750.1780.8050.4770.7810.8850.350.4340.563
SynFormerSynthesizable=true2026.040.4520.3710.760.610.470.2340.1510.8190.460.7950.9180.2950.4290.51
Graph GASynthesizable=false2026.040.4410.2390.9660.6640.7910.4480.1580.1550.7350.3680.4650.9090.3350.3750.5
ReaSynSynthesizable=true2026.040.4380.22410.6840.660.470.1750.1660.7310.3810.6570.9760.2830.3260.458
DrugAssistSynthesizable=false2026.040.4280.20.6790.5890.3190.2430.1020.1350.7310.3630.4580.6520.0020.2360.367
LDMOLSynthesizable=false2026.040.4020.1980.6510.5350.3960.2830.1080.1390.5530.3210.170.7240.0140.2170.336
mCLMSynthesizable=true2026.040.3870.2130.2360.5450.1730.0780.1250.1410.7030.360.1950.6540.0440.3470.3