ResearchBenchmarksProperty Optimization on Pharmacokinetic and toxicity properties (AMES, BBBP, CYP3A4, DILI, HIA, PGP)Property Optimization on Pharmacokinetic and toxicity properties (AMES, BBBP, CYP3A4, DILI, HIA, PGP)Follow48.2AMES AccuracyHierVAE44.24845.27446.347.326May 18, 2025Evaluation resultsMethodMethodLinksAMES AccuracyBBBP AccuracyCYP3A4 Performance ScoreDILI AccuracyHIA AccuracyPGP AccuracyAverage ImprovementHierVAEtraining_mode=fine-tun...training_mode=fine-tuned separately for each property2025.0548.266.41.253.199.764.310.5mCLMtraining_mode=instruct...training_mode=instruction-following setting2025.0544.485.21.453.798.9964.415