notesum.ai
Published at November 22MolReFlect: Towards In-Context Fine-grained Alignments between Molecules and Texts
cs.CL
q-bio.QM
Released Date: November 22, 2024
Authors: Jiatong Li, Yunqing Liu, Wei Liu, Jingdi Le, Di Zhang1, Wenqi Fan, Dongzhan Zhou, Yuqiang Li, Qing Li2
Aff.: 1Shanghai AI Lab; 2The Hong Kong Polytechnic University

| Method | BLEU | EM | Levenshtein | MACCS FTS | RDK FTS | Morgan FTS | Validity |
|---|---|---|---|---|---|---|---|
| MolT5-large | 0.854 | 0.311 | 16.07 | 0.834 | 0.746 | 0.684 | 0.905 |
| MolReGPT | 0.857 | 0.280 | 17.14 | 0.903 | 0.805 | 0.739 | 0.899 |
| BioT5 | 0.867 | 0.413 | 15.10 | 0.886 | 0.801 | 0.734 | 1.000 |
| ICMA | 0.855 | 0.460 | 18.73 | 0.916 | 0.837 | 0.789 | 0.958 |
| MolReFlect | 0.903 | 0.510 | 11.84 | 0.929 | 0.860 | 0.813 | 0.977 |