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Chemistry (Weinheim an Der Bergstrasse, Germany)
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November 27, 2023
A Primer on 2D Descriptors in Selectivity Modeling for Asymmetric Catalysis
Pavel Sidorov, Nobuya Tsuji
Journal of Cheminformatics
|
April 1, 2025
Predictive modeling of visible-light azo-photoswitches' properties using structural features
Said Byadi, P K Hashim, Pavel Sidorov
Journal of Chemical Information and Modeling
|
March 19, 2026
Integration of DOPtools and CADS in a Web-Based User Interface for Structural Descriptor Calculation, Model Optimization, and Prediction
Philippe Gantzer, Micke Kuwahara, Keisuke Takahashi, et al.
Journal of Chemical Information and Modeling
|
October 30, 2023
Multi-Instance Learning Approach to the Modeling of Enantioselectivity of Conformationally Flexible Organic Catalysts
Dmitry Zankov, Timur Madzhidov, Pavel Polishchuk, et al.
Journal of Cheminformatics
|
February 27, 2026
Graph-based transformer to predict the octanol-water partition coefficient
Vyacheslav Grigorev, Nikita Serov, Timur Gimadiev, et al.
Journal of Computer-Aided Molecular Design
|
November 14, 2015
Mappability of drug-like space: towards a polypharmacologically competent map of drug-relevant compounds
Pavel Sidorov, Helena Gaspar, Gilles Marcou, et al.
Molecular Informatics
|
May 12, 2018
AntiMalarial Mode of Action (AMMA) Database: Data Selection, Verification and Chemical Space Analysis
Pavel Sidorov, Elisabeth Davioud-Charvet, Gilles Marcou, et al.
Frontiers in Chemistry
|
August 6, 2019
Predicting Synergism of Cancer Drug Combinations Using NCI-ALMANAC Data
Pavel Sidorov, Stefan Naulaerts, Jérémy Ariey-Bonnet, et al.
Journal of Chemical Information and Modeling
|
November 29, 2021
CGRdb2.0: A Python Database Management System for Molecules, Reactions, and Chemical Data
Timur Gimadiev, Ramil Nugmanov, Aigul Khakimova, et al.
Angewandte Chemie (International Ed. in English)
|
January 23, 2023
Predicting Highly Enantioselective Catalysts Using Tunable Fragment Descriptors
Nobuya Tsuji, Pavel Sidorov, Chendan Zhu, et al.
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of 2
Search research articles
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Showing results (1-10 of 18) with videos related to
Sort By:
Page
of 2
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
November 27, 2023
A Primer on 2D Descriptors in Selectivity Modeling for Asymmetric Catalysis
Pavel Sidorov, Nobuya Tsuji
Journal of Cheminformatics
|
April 1, 2025
Predictive modeling of visible-light azo-photoswitches' properties using structural features
Said Byadi, P K Hashim, Pavel Sidorov
Journal of Chemical Information and Modeling
|
March 19, 2026
Integration of DOPtools and CADS in a Web-Based User Interface for Structural Descriptor Calculation, Model Optimization, and Prediction
Philippe Gantzer, Micke Kuwahara, Keisuke Takahashi, et al.
Journal of Chemical Information and Modeling
|
October 30, 2023
Multi-Instance Learning Approach to the Modeling of Enantioselectivity of Conformationally Flexible Organic Catalysts
Dmitry Zankov, Timur Madzhidov, Pavel Polishchuk, et al.
Journal of Cheminformatics
|
February 27, 2026
Graph-based transformer to predict the octanol-water partition coefficient
Vyacheslav Grigorev, Nikita Serov, Timur Gimadiev, et al.
Journal of Computer-Aided Molecular Design
|
November 14, 2015
Mappability of drug-like space: towards a polypharmacologically competent map of drug-relevant compounds
Pavel Sidorov, Helena Gaspar, Gilles Marcou, et al.
Molecular Informatics
|
May 12, 2018
AntiMalarial Mode of Action (AMMA) Database: Data Selection, Verification and Chemical Space Analysis
Pavel Sidorov, Elisabeth Davioud-Charvet, Gilles Marcou, et al.
Frontiers in Chemistry
|
August 6, 2019
Predicting Synergism of Cancer Drug Combinations Using NCI-ALMANAC Data
Pavel Sidorov, Stefan Naulaerts, Jérémy Ariey-Bonnet, et al.
Journal of Chemical Information and Modeling
|
November 29, 2021
CGRdb2.0: A Python Database Management System for Molecules, Reactions, and Chemical Data
Timur Gimadiev, Ramil Nugmanov, Aigul Khakimova, et al.
Angewandte Chemie (International Ed. in English)
|
January 23, 2023
Predicting Highly Enantioselective Catalysts Using Tunable Fragment Descriptors
Nobuya Tsuji, Pavel Sidorov, Chendan Zhu, et al.
Page
of 2