Search

6 results in Authors: Pavel Sidorov

Theoretical and Computational Chemistry

Working Paper

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

318

Downloads

Theoretical and Computational Chemistry

Working Paper

DOPtools: a Python platform for descriptor calculation and model optimization. Overview and usage guide

Said Byadi, Philippe Gantzer, Timur Gimadiev, Pavel Sidorov

Version 1 posted 16 July 2024

284

Downloads

Theoretical and Computational Chemistry

Working Paper

Discovery of Novel Chemical Reactions by Deep Generative Recurrent Neural Network

William Bort, Igor I. Baskin, Pavel Sidorov, Gilles Marcou, Dragos Horvath, Timur Madzhidov, Alexandre Varnek, Timur Gimadiev, Ramil Nugmanov, Artem Mukanov

Version 1 posted 22 January 2020

1,095

Downloads

Citations

Theoretical and Computational Chemistry

Working Paper

Combined Graph/relational Database Management System for Calculated Chemical Reaction Pathway Data

Timur Gimadiev, Ramil Nugmanov, Dinar Batyrshin, Timur Madzhidov, Satoshi Maeda, Pavel Sidorov, Alexandre Varnek

Version 1 posted 23 October 2020

811

Downloads

Catalysis

Working Paper

Predicting Highly Enantioselective Catalysts Using Tunable Fragment Descriptors

Nobuya Tsuji, Pavel Sidorov, Chendan Zhu, Yuuya Nagata, Timur Gimadiev, Alexandre Varnek, Benjamin List

Version 1 posted 29 July 2022

919

Downloads

Citations

Theoretical and Computational Chemistry

Working Paper

Towards data-driven design of visible-light photoswitches using structural features

Said Byadi, P.K. Hashim, Pavel Sidorov

Version 1 posted 18 October 2024

152

Downloads

Search

Refine Search

6 results in Pavel Sidorov in Authors: Pavel Sidorov

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

DOPtools: a Python platform for descriptor calculation and model optimization. Overview and usage guide

Discovery of Novel Chemical Reactions by Deep Generative Recurrent Neural Network

Combined Graph/relational Database Management System for Calculated Chemical Reaction Pathway Data

Predicting Highly Enantioselective Catalysts Using Tunable Fragment Descriptors

Towards data-driven design of visible-light photoswitches using structural features

6 results in Authors: Pavel Sidorov