(\mathsf{G^2Retro}\) as a Two-Step Graph Generative Models for Retrosynthesis Prediction
(\mathsf{G^2Retro}\) as a Two-Step Graph Generative Models for Retrosynthesis Prediction
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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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Retrosynthesis is a procedure where a target molecule is transformed into potential reactants and thus the synthesis routes can be identified. Recently, computational approaches have been developed to accelerate the design of synthesis routes. In this paper, we develop a generative framework \(\mathsf{G^2Retro}\) for one-step retrosynthesis predict...
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(\mathsf{G^2Retro}\) as a Two-Step Graph Generative Models for Retrosynthesis Prediction
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TN_cdi_proquest_journals_2675834548
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https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_proquest_journals_2675834548
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E-ISSN
2331-8422
DOI
10.48550/arxiv.2206.04882
