ResearchBenchmarksMoA Classification on Cell-Phenotype de novo generated molecules (ECFP space)Follow27.2Top-1 Cluster AccuracyPhAME13.47217.03620.624.164May 27, 2026Evaluation ResultsMethodMethodLinksTop-1 Cluster AccuracyMoA Retrieval Rate @1MoA Retrieval Rate @2MoA Retrieval Rate @3kNN Accuracy @1kNN Accuracy @3kNN Accuracy @5PhAMERepresentation Space=ECFPRepresentation Space=ECFP2026.0527.22340.456.220.621.223GFlowNetRepresentation Space=ECFPRepresentation Space=ECFP2026.051715.12946.112.714.415.3CPMolGANRepresentation Space=ECFPRepresentation Space=ECFP2026.0514.313.428.84212.913.514.1DGVAERepresentation Space=ECFPRepresentation Space=ECFP2026.051414.228.542.714.514.613.7