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Efficient design of peptide-binding polymers using active learning approaches.
J Control Release. 2023 Jan;353:903-914. doi: 10.1016/j.jconrel.2022.11.023. Epub 2022 Dec 19.
J Control Release. 2023.
PMID: 36402234
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: rakhimbekova a.
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.
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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Probabilistic Approach for Virtual Screening Based on Multiple Pharmacophores.
Madzhidov TI, Rakhimbekova A, Kutlushuna A, Polishchuk P.
Madzhidov TI, et al. Among authors: rakhimbekova a.
Molecules. 2020 Jan 17;25(2):385. doi: 10.3390/molecules25020385.
Molecules. 2020.
PMID: 31963467
Free PMC article.
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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: rakhimbekova a.
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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