Papers with real-world chemical reaction predictions
ReLM: Leveraging Language Models for Enhanced Chemical Reaction Prediction (2023.findings-emnlp)
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| Challenge: | Existing methods for predicting chemical reactions are limited by insufficient training data and inability to utilize textual information. |
| Approach: | They propose a framework that leverages chemical knowledge encoded in language models to assist GNNs, thereby enhancing the accuracy of real-world chemical reaction predictions. |
| Outcome: | The proposed framework improves state-of-the-art GNN-based methods across chemical reaction datasets especially in out-of distribution settings. |