Forward reaction prediction on Mol-Instructions (test)
0.945EM ScoreLLM-CRP
Evaluation results
| Method | Links | ||||||
|---|---|---|---|---|---|---|---|
| LLM-CRPRT=true, IA=true, N=102024.04 | 0.945 | 0.991 | 0.993 | 0.986 | 0.997 | 1.4 | |
| LLM-CRPRT=true, IA=false, N=102024.04 | 0.937 | 0.991 | 0.991 | 0.984 | 0.997 | 0.5 | |
| Text+Chem T5finetuned=true2024.04 | 0.932 | 0.988 | 0.991 | 0.985 | 0.999 | — | |
| LLM-CRPRT=true, IA=true, N=62024.04 | 0.93 | 0.989 | 0.992 | 0.984 | 0.995 | -0.2 | |
| T5finetuned=true2024.04 | 0.926 | 0.986 | 0.989 | 0.984 | 0.992 | — | |
| MolT5finetuned=true2024.04 | 0.897 | 0.986 | 0.988 | 0.978 | 0.992 | — | |
| nach0finetuned=false2024.04 | 0.89 | — | — | — | — | — | |
| Text+Chem T5finetuned=false2024.04 | 0.594 | — | — | — | — | — | |
| LLM-CRPRT=true, IA=true, N=102024.04 | 0.284 | 0.617 | 0.744 | 0.649 | 1 | 74.2 | |
| LLM-CRPRT=true, IA=false, N=102024.04 | 0.273 | 0.589 | 0.728 | 0.64 | 0.999 | 67.4 | |
| MolT5finetuned=true2024.04 | 0.178 | 0.515 | 0.66 | 0.559 | 0.997 | — | |
| LLM-CRPRT=true, IA=true, N=62024.04 | 0.175 | 0.499 | 0.665 | 0.587 | 0.999 | 7.4 | |
| T5finetuned=true2024.04 | 0.168 | 0.506 | 0.654 | 0.548 | 0.998 | — | |
| Text+Chem T5finetuned=true2024.04 | 0.163 | 0.482 | 0.657 | 0.571 | 0.996 | — | |
| nach0finetuned=false2024.04 | 0.14 | — | — | — | — | — |