ReactXT: Understanding Molecular “Reaction-ship” via Reaction-Contextualized Molecule-Text Pretraining (2024.findings-acl)
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Zhiyuan Liu, Yaorui Shi, An Zhang, Sihang Li, Enzhi Zhang, Xiang Wang, Kenji Kawaguchi, Tat-Seng Chua
| Challenge: | Molecular-text modeling is an emerging research field that aims to facilitate molecule-relevant tasks with a textual interface and textual knowledge. |
| Approach: | They propose a new method for reaction-text modeling that uses three types of input contexts to incrementally pretrain LMs. |
| Outcome: | The proposed method improves experimental procedure prediction and molecule captioning and offers competitive results in retrosynthesis. |
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