ResearchBenchmarksMoA Classification on Cell-Phenotype de novo generated molecules InfoAlign spaceMoA Classification on Cell-Phenotype de novo generated molecules InfoAlign spaceFollow28.7Top-1 Cluster AccuracyPhAME12.47616.68820.925.112May 27, 2026Evaluation resultsMethodMethodLinksTop-1 Cluster AccuracyMoA Retrieval Rate @1MoA Retrieval Rate @2MoA Retrieval Rate @3kNN Accuracy @1kNN Accuracy @3kNN Accuracy @5PhAMERepresentation Space=I...Representation Space=InfoAlign2026.0528.728.745.25825.42728.3GFlowNetRepresentation Space=I...Representation Space=InfoAlign2026.0517.116.332.450.114.615.715.9DGVAERepresentation Space=I...Representation Space=InfoAlign2026.0513.414.428.643.21414.314.2CPMolGANRepresentation Space=I...Representation Space=InfoAlign2026.0513.113.526.939.613.513.113.6