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Pavel Polishchuk

5 results in Authors: Pavel Polishchuk

Theoretical and Computational Chemistry

QSAR Modeling Based on Conformation Ensembles Using a Multi-Instance Learning Approach

Dmitry V. Zankov, Mariia Matveieva, Aleksandra Nikonenko, Ramil Nugmanov, Alexandre Varnek, Pavel Polishchuk, Timur Madzhidov

Version 1 posted 22 December 2020

1,055

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1

Citations

Theoretical and Computational Chemistry

CReM-dock: de novo design of synthetically feasible compounds guided by molecular docking

Guzel Minibaeva, Pavel Polishchuk

Version 2 posted 23 July 2024

360

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Theoretical and Computational Chemistry

StreaMD: the toolkit for high-throughput molecular dynamics simulations

Aleksandra Ivanova, Olena Mokshyna, Pavel Polishchuk

Version 1 posted 13 June 2024

355

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Organic Chemistry

Spiro[3.3]heptane as a Non-collinear Benzene Bioisostere

Kateryna Prysiazhniuk, Oleksandr Datsenko, Oleksandr Polishchuk, Stanislav Shulha, Oleh Shablykin, Liza Nikandrova, Kateryna Horbatok, Iryna Bodenchuk, Petro Borysko, Dmytro Shepilov, Iryna Pishel, Vladimir Kubyshkin, Pavel Mykhailiuk

Version 2 posted 02 November 2023

2,233

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Theoretical and Computational Chemistry

Multi-Instance Learning Approach to the Modeling of Enantioselectivity of Conformationally Flexible Organic Catalysts

Dmitry Zankov, Timur Madzhidov, Pavel Polishchuk, Pavel Sidorov, Alexandre Varnek

Version 1 posted 14 March 2023

310

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