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Page 1
Reaction Data Curation I: Chemical Structures and Transformations Standardization.
Mol Inform. 2021 Dec;40(12):e2100119. doi: 10.1002/minf.202100119. Epub 2021 Aug 24.
Mol Inform. 2021.
PMID: 34427989
Atom-to-atom Mapping: A Benchmarking Study of Popular Mapping Algorithms and Consensus Strategies.
Lin A, Dyubankova N, Madzhidov TI, Nugmanov RI, Verhoeven J, Gimadiev TR, Afonina VA, Ibragimova Z, Rakhimbekova A, Sidorov P, Gedich A, Suleymanov R, Mukhametgaleev R, Wegner J, Ceulemans H, Varnek A.
Lin A, et al. Among authors: gimadiev tr.
Mol Inform. 2022 Apr;41(4):e2100138. doi: 10.1002/minf.202100138. Epub 2021 Nov 2.
Mol Inform. 2022.
PMID: 34726834
Free article.
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Comprehensive Analysis of Applicability Domains of QSPR Models for Chemical Reactions.
Rakhimbekova A, Madzhidov TI, Nugmanov RI, Gimadiev TR, Baskin II, Varnek A.
Rakhimbekova A, et al. Among authors: gimadiev tr.
Int J Mol Sci. 2020 Aug 3;21(15):5542. doi: 10.3390/ijms21155542.
Int J Mol Sci. 2020.
PMID: 32756326
Free PMC article.
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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: gimadiev tr.
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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Conjugated Quantitative Structure-Property Relationship Models: Application to Simultaneous Prediction of Tautomeric Equilibrium Constants and Acidity of Molecules.
Zankov DV, Madzhidov TI, Rakhimbekova A, Gimadiev TR, Nugmanov RI, Kazymova MA, Baskin II, Varnek A.
Zankov DV, et al. Among authors: gimadiev tr.
J Chem Inf Model. 2019 Nov 25;59(11):4569-4576. doi: 10.1021/acs.jcim.9b00722. Epub 2019 Nov 12.
J Chem Inf Model. 2019.
PMID: 31638794
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