Multi-task Reaction Prediction on Aggregated Multi-task Chemical Reaction Dataset (test)
0.879BLEU ScoreLLM-CRP (RT+IA, N=10)
Evaluation results
| Method | Links | ||||||
|---|---|---|---|---|---|---|---|
| LLM-CRP (RT+IA, N=10)Reaction Type integration=true, Instruction Adaptation=true, Cluster Number=102024.04 | 0.879 | 0.901 | 0.674 | 0.854 | 99.8 | 14.9 | |
| MolT5Model=MolT52024.04 | 0.837 | 0.859 | 0.586 | 0.797 | 99.6 | — | |
| T5Model=T52024.04 | 0.825 | 0.854 | 0.556 | 0.79 | 99.2 | — | |
| Text+Chem T5Training Mode=finetune2024.04 | 0.822 | 0.857 | 0.572 | 0.797 | 99.5 | — | |
| Text+Chem T5Evaluation Protocol=avg-tasks (baseline)2024.04 | 0.799 | 0.859 | 0.586 | 0.805 | 99.7 | — |