Molecular Property Optimization on TDC 122 synthesis-guaranteed FDA-approved drugs
49.3AMESClaude-3.5-Haiku
Evaluation Results
| Method | Links | |||||||
|---|---|---|---|---|---|---|---|---|
| Claude-3.5-HaikuSynthesis Guarantee=false2025.05 | 49.3 | 72.2 | 2.2 | 58.6 | 98.3 | 65.7 | 1.64 | |
| GPT-5Synthesis Guarantee=false2025.05 | 49.1 | 70.2 | 2.4 | 61.2 | 99.2 | 65 | -0.82 | |
| LDMolSynthesis Guarantee=false2025.05 | 49 | 63.5 | 2.5 | 57.5 | 99 | 67.6 | -3.07 | |
| FDA Drug2025.05 | 47.8 | 61.4 | 2.1 | 60.1 | 98.96 | 64.6 | 0 | |
| FineMolTexSynthesis Guarantee=false2025.05 | 47.5 | 66 | 2.4 | 59.5 | 98.84 | 64 | -0.73 | |
| MoleculeSTMSynthesis Guarantee=false2025.05 | 47.1 | 63.4 | 2.2 | 59.3 | 98.76 | 64.1 | 0.31 | |
| GPT-4oSynthesis Guarantee=false2025.05 | 46 | 72.1 | 2.2 | 60.8 | 99.3 | 65.2 | 2.45 | |
| Gemini-2.5-FlashSynthesis Guarantee=false2025.05 | 45 | 72.5 | 1.8 | 58.1 | 99.1 | 64.5 | 6.98 | |
| mCLMSynthesis Guarantee=true, Output Vocabulary=582 blocks2025.05 | 44.4 | 85.2 | 1.4 | 53.7 | 98.99 | 64.4 | 15 |