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
About this item
Full title
Author / Creator
Zeng, Kaipeng , Yang, Bo , Zhao, Xin , Zhang, Yu , Nie, Fan , Yang, Xiaokang , Jin, Yaohui and Xu, Yanyan
Publisher
Cham: Springer International Publishing
Journal title
Language
English
Formats
Publication information
Publisher
Cham: Springer International Publishing
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More information
Scope and Contents
Contents
Motivation
Retrosynthesis planning poses a formidable challenge in the organic chemical industry, particularly in pharmaceuticals. 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 pr...
Alternative Titles
Full title
Ualign: pushing the limit of template-free retrosynthesis prediction with unsupervised SMILES alignment
Authors, Artists and Contributors
Author / Creator
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Primary Identifiers
Record Identifier
TN_cdi_doaj_primary_oai_doaj_org_article_647e6df9c91d4661938f11c3f3cf34b4
Permalink
https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_doaj_primary_oai_doaj_org_article_647e6df9c91d4661938f11c3f3cf34b4
Other Identifiers
ISSN
1758-2946
E-ISSN
1758-2946
DOI
10.1186/s13321-024-00877-2
