Quantitative structure-activity relationships of chemical bioactivity toward proteins associated with molecular initiating events of organ-specific toxicity. - Domenico Gadaleta; Marina Garcia de Lomana; Eva Serrano-Candelas; Rita Ortega-Vallbona; Rafael Gozalbes; Alessandra Roncaglioni; Emilio Benfenati (J. Cheminformatics, 2024)

Comprehensive benchmarking of computational tools for predicting toxicokinetic and physicochemical properties of chemicals. - 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 (J. Cheminformatics, 2024)