Computer Science · Physical Sciences
2h-index22citations31works1.02yr avg
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Research Topics
Computational Drug Discovery Methods(17), History and advancements in chemistry(8), Various Chemistry Research Topics(6), Semantic Web and Ontologies(4), Scientific Computing and Data Management(3)
Publications31 total
Journal of Cheminformatics·2025· 2 citedOpen Access
Lecture notes in computer science·2024
Condensed Graph of Reaction: an efficient approach to reactions mining
HAL (Le Centre pour la Communication Scientifique Directe)·2021
Chemography Concept in Chemical Space Exploration,
HAL (Le Centre pour la Communication Scientifique Directe)·2021
Chemography Concept in Chemical Space Analysis and Exploration
HAL (Le Centre pour la Communication Scientifique Directe)·2021
Application of Artificial Intelligence to organic chemistry: trends and perspectives
HAL (Le Centre pour la Communication Scientifique Directe)·2019
Introduction into Chemoinformatics. Part 6. Chemical space and virtual screening
HAL (Le Centre pour la Communication Scientifique Directe)·2019
Chemography: the art of navigation in chemical space
HAL (Le Centre pour la Communication Scientifique Directe)·2018
Chemography : toward “universal” maps of drug-like space
HAL (Le Centre pour la Communication Scientifique Directe)·2018
Toward universal maps of chemical space
HAL (Le Centre pour la Communication Scientifique Directe)·2018
Automatic detection of missed reagents and products in chemical reaction equations
HAL (Le Centre pour la Communication Scientifique Directe)·2018
Chemography approach to chemical space analysis
HAL (Le Centre pour la Communication Scientifique Directe)·2018
Chemography analysis of drug-like chemical space
HAL (Le Centre pour la Communication Scientifique Directe)·2018
Entertaining Chemography
HAL (Le Centre pour la Communication Scientifique Directe)·2018
Computer-aided design of new molecules and materials: a chemoinformatics approach
HAL (Le Centre pour la Communication Scientifique Directe)·2018
Computer-Aided Design of Metal Binders. How far can we predict?
HAL (Le Centre pour la Communication Scientifique Directe)·2017
Introduction into Chemoinformatics. Part 5. Informatics of Chemical Reactions
HAL (Le Centre pour la Communication Scientifique Directe)·2017
i- Synthesis: Chemoinformatics Environment for Synthetic Chemist
HAL (Le Centre pour la Communication Scientifique Directe)·2017
Cartography of chemical space as efficient tool for discovery of new biologically active compounds
HAL (Le Centre pour la Communication Scientifique Directe)·2017
Introduction into Chemoinformatics. Part 4. Machine-Learning Methods
HAL (Le Centre pour la Communication Scientifique Directe)·2016
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Frequent Co-authors
Igor I. Baskin(5), Timur Madzhidov(4), Dragos Horvath(3), Gilles Marcou(2), Frank Hoonakker(1), Nicolas Lachiche(1), Alain Wagner(1), Héléna A. Gaspar(1), Pavel Sidorov(1), Regina Pikalyova(1), Tagir Akhmetshin(1), Ramil Nugmanov(1), И. С. Антипин(1)