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Multi-objective molecular drug discovery on Cancer 6T2W (full pool of 1 million molecules)

171.2T@50RANDOM
71.15297.126123.1149.074Feb 17, 2026

Evaluation results

MethodLinks
RANDOMtrials=42026.02171.2
MOO+CLUSTERtrials=42026.02152.5
ONE-STEPtrials=42026.02100
MOC-CAStrials=42026.0275