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HyFactor: A Novel Open-Source, Graph-Based Architecture for Chemical Structure Generation.
J Chem Inf Model. 2022 Aug 8;62(15):3524-3534. doi: 10.1021/acs.jcim.2c00744. Epub 2022 Jul 25.
J Chem Inf Model. 2022.
PMID: 35876159
Review.
CGRtools: Python Library for Molecule, Reaction, and Condensed Graph of Reaction Processing.
Nugmanov RI, Mukhametgaleev RN, Akhmetshin T, Gimadiev TR, Afonina VA, Madzhidov TI, Varnek A.
Nugmanov RI, et al. Among authors: akhmetshin t.
J Chem Inf Model. 2019 Jun 24;59(6):2516-2521. doi: 10.1021/acs.jcim.9b00102. Epub 2019 May 28.
J Chem Inf Model. 2019.
PMID: 31063394
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Cross-validation strategies in QSPR modelling of chemical reactions.
Rakhimbekova A, Akhmetshin TN, Minibaeva GI, Nugmanov RI, Gimadiev TR, Madzhidov TI, Baskin II, Varnek A.
Rakhimbekova A, et al. Among authors: akhmetshin tn.
SAR QSAR Environ Res. 2021 Mar;32(3):207-219. doi: 10.1080/1062936X.2021.1883107. Epub 2021 Feb 19.
SAR QSAR Environ Res. 2021.
PMID: 33601989
Free article.
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Reaction Data Curation I: Chemical Structures and Transformations Standardization.
Gimadiev TR, Lin A, Afonina VA, Batyrshin D, Nugmanov RI, Akhmetshin T, Sidorov P, Duybankova N, Verhoeven J, Wegner J, Ceulemans H, Gedich A, Madzhidov TI, Varnek A.
Gimadiev TR, et al. Among authors: akhmetshin t.
Mol Inform. 2021 Dec;40(12):e2100119. doi: 10.1002/minf.202100119. Epub 2021 Aug 24.
Mol Inform. 2021.
PMID: 34427989
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