Studying and mitigating the effects of data drifts on ML model performance at the example of chemical toxicity data by Andrea Morger, Marina Garcia de Lomana, Ulf Norinder, Fredrik Svensson, Johannes Kirchmair, Miriam Mathea, Andrea Volkamer

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Predicting the Skin Sensitization Potential of Small Molecules with Machine Learning Models Trained on Biologically Meaningful Descriptors by Anke Wilm, Marina Garcia de Lomana, Conrad Stork, Neann Mathai, Steffen Hirte, Ulf Norinder, Jochen Kühnl, Johannes Kirchmair

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

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

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