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Substructural Connectivity Fingerprint and Extreme Entropy Machines-A New Method of Compound Representation and Analysis.
Molecules. 2018 May 23;23(6):1242. doi: 10.3390/molecules23061242.
Molecules. 2018.
PMID: 29789513
Free PMC article.
Emulating Docking Results Using a Deep Neural Network: A New Perspective for Virtual Screening.
Jastrzębski S, Szymczak M, Pocha A, Mordalski S, Tabor J, Bojarski AJ, Podlewska S.
Jastrzębski S, et al. Among authors: pocha a.
J Chem Inf Model. 2020 Sep 28;60(9):4246-4262. doi: 10.1021/acs.jcim.9b01202. Epub 2020 Sep 16.
J Chem Inf Model. 2020.
PMID: 32865414
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Mol-CycleGAN: a generative model for molecular optimization.
Maziarka Ł, Pocha A, Kaczmarczyk J, Rataj K, Danel T, Warchoł M.
Maziarka Ł, et al. Among authors: pocha a.
J Cheminform. 2020 Jan 8;12(1):2. doi: 10.1186/s13321-019-0404-1.
J Cheminform. 2020.
PMID: 33431006
Free PMC article.
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The importance of standardisation - COVID-19 CT & Radiograph Image Data Stock for deep learning purpose.
Misztal K, Pocha A, Durak-Kozica M, Wątor M, Kubica-Misztal A, Hartel M.
Misztal K, et al. Among authors: pocha a.
Comput Biol Med. 2020 Dec;127:104092. doi: 10.1016/j.compbiomed.2020.104092. Epub 2020 Oct 28.
Comput Biol Med. 2020.
PMID: 33161334
Free PMC article.
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