| Predicting synergism of cancer drug combinations using NCI-ALMANAC data P Sidorov, S Naulaerts, J Ariey-Bonnet, E Pasquier, PJ Ballester Frontiers in chemistry 7, 509, 2019 | 152 | 2019 |
| Classical scoring functions for docking are unable to exploit large volumes of structural and interaction data H Li, J Peng, P Sidorov, Y Leung, KS Leung, MH Wong, G Lu, PJ Ballester Bioinformatics 35 (20), 3989-3995, 2019 | 80 | 2019 |
| Discovery of novel chemical reactions by deep generative recurrent neural network W Bort, II Baskin, T Gimadiev, A Mukanov, R Nugmanov, P Sidorov, ... Scientific reports 11 (1), 3178, 2021 | 75 | 2021 |
| Mappability of drug-like space: towards a polypharmacologically competent map of drug-relevant compounds P Sidorov, H Gaspar, G Marcou, A Varnek, D Horvath Journal of computer-aided molecular design 29, 1087-1108, 2015 | 73 | 2015 |
| Electrochemical Properties of Substituted 2‐Methyl‐1, 4‐Naphthoquinones: Redox Behavior Predictions M Elhabiri, P Sidorov, E Cesar‐Rodo, G Marcou, DA Lanfranchi, ... Chemistry–A European Journal 21 (8), 3415-3424, 2015 | 49 | 2015 |
| Atom‐to‐atom mapping: a benchmarking study of popular mapping algorithms and consensus strategies A Lin, N Dyubankova, TI Madzhidov, RI Nugmanov, J Verhoeven, ... Molecular Informatics 41 (4), 2100138, 2022 | 46 | 2022 |
| Redox polypharmacology as an emerging strategy to combat malarial parasites P Sidorov, I Desta, M Chessé, D Horvath, G Marcou, A Varnek, ... ChemMedChem 11 (12), 1339-1351, 2016 | 39 | 2016 |
| Predicting highly enantioselective catalysts using tunable fragment descriptors N Tsuji, P Sidorov, C Zhu, Y Nagata, T Gimadiev, A Varnek, B List Angewandte Chemie International Edition 62 (11), e202218659, 2023 | 38 | 2023 |
| Reaction data curation I: chemical structures and transformations standardization TR Gimadiev, A Lin, VA Afonina, D Batyrshin, RI Nugmanov, ... Molecular Informatics 40 (12), 2100119, 2021 | 26 | 2021 |
| Generative topographic mapping approach to chemical space analysis HA Gaspar, P Sidorov, D Horvath, II Baskin, G Marcou, A Varnek Frontiers in Molecular Design and Chemical Information Science-Herman …, 2016 | 18 | 2016 |
| QSAR modeling and chemical space analysis of antimalarial compounds P Sidorov, B Viira, E Davioud-Charvet, U Maran, G Marcou, D Horvath, ... Journal of Computer-Aided Molecular Design 31, 441-451, 2017 | 17 | 2017 |
| Combined graph/relational database management system for calculated chemical reaction pathway data T Gimadiev, R Nugmanov, D Batyrshin, T Madzhidov, S Maeda, P Sidorov, ... Journal of Chemical Information and Modeling 61 (2), 554-559, 2021 | 16 | 2021 |
| Ionization of acid-functionalized hyperbranched polyesters MPKNA Ulakhovich, PO Sidorov, GA Kutyrev, AR Gataulina, YI Salnikov World Applied Sciences Journal 26 (7), 973-978, 2013 | 10 | 2013 |
| CGRdb2. 0: A python database management system for molecules, reactions, and chemical data T Gimadiev, R Nugmanov, A Khakimova, A Fatykhova, T Madzhidov, ... Journal of Chemical Information and Modeling 62 (9), 2015-2020, 2021 | 8 | 2021 |
| AntiMalarial Mode of Action (AMMA) Database: Data Selection, Verification and Chemical Space Analysis P Sidorov, E Davioud‐Charvet, G Marcou, D Horvath, A Varnek Molecular Informatics 37 (9-10), 1800021, 2018 | 6 | 2018 |
| Multi-instance learning approach to the modeling of enantioselectivity of conformationally flexible organic catalysts D Zankov, T Madzhidov, P Polishchuk, P Sidorov, A Varnek Journal of Chemical Information and Modeling 63 (21), 6629-6641, 2023 | 5 | 2023 |
| Ionization and complexing properties of hyperbranched polyester poly [3-(2-aminoethyl) amino)] propionate AR Gataulina, PO Sidorov, SV Yurtaeva, VA Prytkov, NA Ulakhovich, ... Russian Journal of General Chemistry 90, 425-433, 2020 | 3 | 2020 |
| DOPtools: a Python platform for descriptor calculation and model optimization. Overview and usage guide S Byadi, P Gantzer, T Gimadiev, P Sidorov | 1 | 2024 |
| A Primer on 2D Descriptors in Selectivity Modeling for Asymmetric Catalysis P Sidorov, N Tsuji Chemistry–A European Journal 30 (10), e202302837, 2024 | 1 | 2024 |
| Towards data-driven design of visible-light photoswitches using structural features S Byadi, PK Hashim, P Sidorov | | 2024 |
Alexandre VarnekProfessor of Chemistry, University of Strasbourgยืนยันอีเมลแล้วที่ unistra.fr