Characterization of the Chemical Space of Known and Readily Obtainable Natural Products. - Ya Chen 002; Marina Garcia de Lomana; Nils-Ole Friedrich; Johannes Kirchmair (J. Chem. Inf. Model., 2018)

ChemBioSim: Enhancing Conformal Prediction of In Vivo Toxicity by Use of Predicted Bioactivities. - Marina Garcia de Lomana; Andrea Morger; Ulf Norinder; Roland Buesen; Robert Landsiedel; Andrea Volkamer; Johannes Kirchmair; Miriam Mathea (J. Chem. Inf. Model., 2021)

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)