ResearchBenchmarksMolecular Pharmacology Optimization on anticancer (out-of-distribution)Molecular Pharmacology Optimization on anticancer (out-of-distribution)Follow20.6Overall Optimization ScoreDrugR10.366413.023215.6818.3368Feb 9, 2026Evaluation resultsMethodMethodLinksOverall Optimization ScoreTarget Property F1 ScoreFingerprint SimilarityReasoning LMS ScoreReasoning RichnessDrugRfine-tuned on new data...fine-tuned on new data=true2026.0220.634.0463.2766.9352.1SFTfine-tuned on new data...fine-tuned on new data=true2026.0219.4929.9753.860.5145.2LLaMA3-8B2026.0215.943.6837.7149.9635.4ExLLM2026.0214.533.8548.1965.448.75ether02026.0210.765.8625.864.3446.28