UAlign: Pushing the Limit of Template-free Retrosynthesis Prediction with Unsupervised SMILES Alignm...
UAlign: Pushing the Limit of Template-free Retrosynthesis Prediction with Unsupervised SMILES Alignment
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Zeng, Kaipeng , yang, Bo , Zhao, Xin , Zhang, Yu , Nie, Fan , Yang, Xiaokang , Jin, Yaohui and Xu, Yanyan
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Ithaca: Cornell University Library, arXiv.org
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English
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Ithaca: Cornell University Library, arXiv.org
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Motivation: Retrosynthesis planning poses a formidable challenge in the organic chemical industry. Single-step retrosynthesis prediction, a crucial step in the planning process, has witnessed a surge in interest in recent years due to advancements in AI for science. Various deep learning-based methods have been proposed for this task in recent year...
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UAlign: Pushing the Limit of Template-free Retrosynthesis Prediction with Unsupervised SMILES Alignment
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TN_cdi_proquest_journals_3030952359
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https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_proquest_journals_3030952359
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2331-8422
