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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.
Prediction of Optimal Conditions of Hydrogenation Reaction Using the Likelihood Ranking Approach.
Afonina VA, Mazitov DA, Nurmukhametova A, Shevelev MD, Khasanova DA, Nugmanov RI, Burilov VA, Madzhidov TI, Varnek A.
Afonina VA, et al. Among authors: mazitov da.
Int J Mol Sci. 2021 Dec 27;23(1):248. doi: 10.3390/ijms23010248.
Int J Mol Sci. 2021.
PMID: 35008674
Free PMC article.
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Inverse QSAR: Reversing Descriptor-Driven Prediction Pipeline Using Attention-Based Conditional Variational Autoencoder.
Bort W, Mazitov D, Horvath D, Bonachera F, Lin A, Marcou G, Baskin I, Madzhidov T, Varnek A.
Bort W, et al. Among authors: mazitov d.
J Chem Inf Model. 2022 Nov 28;62(22):5471-5484. doi: 10.1021/acs.jcim.2c01086. Epub 2022 Nov 4.
J Chem Inf Model. 2022.
PMID: 36332178
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