Graph transformer neural network for chemical reactivity prediction
Graph transformer neural network for chemical reactivity prediction
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Washington: American Chemical Society
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Language
English
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Publisher
Washington: American Chemical Society
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Contents
Optimizing the properties of advanced drug candidates can be facilitated by directly introducing certain chemical groups without having to synthesize the molecules from scratch. However, their chemical complexity often renders reactivity predictions and synthesis planning challenging. Herein, we introduce a graph transformer neural network (GTNN) a...
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Graph transformer neural network for chemical reactivity prediction
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TN_cdi_proquest_journals_2814106791
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https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_proquest_journals_2814106791
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E-ISSN
2573-2293
DOI
10.26434/chemrxiv-2023-8hdmv