Work

Prediction of chemical reaction properties: a journey between chemistry and computer science

Year: 2025

Type: conference-paper

Abstract: International audience

Source: HAL (Le Centre pour la Communication Scientifique Directe)

Authors: Petitjean, Timothée, M, Salov, Nikita, Roméro, Eugénie, Nicolas, Emmanuel

Institutions: Centre National de la Recherche Scientifique, Commissariat à l'Énergie Atomique et aux Énergies Alternatives, Université Paris-Saclay, CEA Paris-Saclay - Etablissement de Saclay, CEA Paris-Saclay, Nanosciences et Innovation pour les Matériaux, la Biomédecine et l'Énergie

Language: English

Topic: Computational Drug Discovery Methods

Subfield: Computational Theory and Mathematics

Field: Computer Science

Domain: Physical Sciences

Open Access status: green

OpenAlex ID: W7081443555

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