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Journal of Cheminformatics|April 1, 2025
Predictive modeling of visible-light azo-photoswitches' properties using structural featuresSaid Byadi, P K Hashim, Pavel SidorovJournal of Molecular Modeling|June 10, 2020
Electronic investigation and spectroscopic analysis using DFT with the long-range dispersion correction on the six lowest conformers of 2.2.3-trimethyl pentaneMouhi Eddine Hachim, Karima Sadik, Said Byadi, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|November 27, 2023
A Primer on 2D Descriptors in Selectivity Modeling for Asymmetric CatalysisPavel Sidorov, Nobuya TsujiJournal of Molecular Modeling|August 1, 2019
Ab initio study on the six lowest energy conformers of iso-octane: conformational stability, barriers to internal rotation, natural bond orbital and first-order hyperpolarizability analyses, UV and NMR predictions, spectral temperature sensitivity, and scaled vibrational assignmentMouhi Eddine Hachim, Karima Sadik, Said Byadi, et al.Journal of Biomolecular Structure & Dynamics|February 16, 2022
In silico discovery of novel inhibitors from Northern African natural products database against main protease (Mpro) of SARS-CoV-2Said Byadi, Domen Oblak, Yassine Kassmi, et al.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 PredictionPhilippe 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 CatalystsDmitry Zankov, Timur Madzhidov, Pavel Polishchuk, et al.Journal of Cheminformatics|February 27, 2026
Graph-based transformer to predict the octanol-water partition coefficientVyacheslav 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 compoundsPavel Sidorov, Helena Gaspar, Gilles Marcou, et al.Molecular Informatics|May 12, 2018
AntiMalarial Mode of Action (AMMA) Database: Data Selection, Verification and Chemical Space AnalysisPavel Sidorov, Elisabeth Davioud-Charvet, Gilles Marcou, et al.Pageof 5