Comprehensive benchmarking of computational tools for predicting toxicokinetic and physicochemical properties of chemicals

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Authors: Domenico Gadaleta, Eva Serrano-Candelas, Rita Ortega-Vallbona, Erika Colombo, Marina Garcia de Lomana, Giada Biava, Pablo Aparicio-Sánchez, Alessandra Roncaglioni, Rafael Gozalbes, Emilio Benfenati

Journal title: Journal of Cheminformatics

Journal number: 16

Journal publisher: Chemistry Central

Published year: 2024

Published pages: 145

DOI identifier: 10.1186/s13321-024-00931-z

ISSN: 1758-2946