Neuro-Fuzzy Knowledge Representation for Toxicity Prediction of Organic Compounds. - Ciprian-Daniel Neagu; Emilio Benfenati; Giuseppina C. Gini; Paolo Mazzatorta; Alessandra Roncaglioni (ECAI, 2002)

Classification of Potential Endocrine Disrupters on the Basis of Molecular Structure Using a Nonlinear Modeling Method. - Alessandra Roncaglioni; Marjana Novic; Marjan Vracko; Emilio Benfenati (J. Chem. Inf. Model., 2004)

Variable Selection and Interpretation in Structure-Affinity Correlation Modeling of Estrogen Receptor Binders. - Federico Marini 001; Alessandra Roncaglioni; Marjana Novic (J. Chem. Inf. Model., 2005)

Evaluating the applicability domain in the case of classification predictive models for carcinogenicity based on the counter propagation artificial neural network. - Natalja Fjodorova; Marjana Novic; Alessandra Roncaglioni; Emilio Benfenati (J. Comput. Aided Mol. Des., 2011)

Coral: QSAR models for acute toxicity in fathead minnow (Pimephales promelas). - Alla P. Toropova; Andrey A. Toropov; Anna Lombardo; Alessandra Roncaglioni; Emilio Benfenati; Giuseppina C. Gini (J. Comput. Chem., 2012)

QSAR Modeling of ToxCast Assays Relevant to the Molecular Initiating Events of AOPs Leading to Hepatic Steatosis. - Domenico Gadaleta; Serena Manganelli; Alessandra Roncaglioni; Cosimo Toma; Emilio Benfenati; Enrico Mombelli (J. Chem. Inf. Model., 2018)

SAR and QSAR modeling of a large collection of LD50 rat acute oral toxicity data. - Domenico Gadaleta; Kristijan Vukovic; Cosimo Toma; Giovanna J. Lavado; Agnes L. Karmaus; Kamel Mansouri; Nicole C. Kleinstreuer; Emilio Benfenati; Alessandra Roncaglioni (J. Cheminformatics, 2019)

The index of ideality of correlation improves the predictive potential of models of the antioxidant activity of tripeptides from frog skin (Litoria rubella). - Alla P. Toropova; Andrey A. Toropov; Alessandra Roncaglioni; Emilio Benfenati (Comput. Biol. Medicine, 2021)

Collaborative SAR Modeling and Prospective In Vitro Validation of Oxidative Stress Activation in Human HepG2 Cells. - Olivier J. M. Béquignon; Jose C. Gómez-Tamayo; Eelke B. Lenselink; Steven Wink; Steven Hiemstra; Chi Chung Lam; Domenico Gadaleta; Alessandra Roncaglioni; Ulf Norinder; Bob van de Water; Manuel Pastor; Gerard J. P. van Westen (J. Chem. Inf. Model., 2023)

Artificial Intelligence Methods for Evaluating Mitochondrial Dysfunction: Exploring Various Chemical Notations Suitable for Neural Language Processing Models. - Edoardo Luca Viganò; Erika Colombo; Davide Ballabio; Alessandra Roncaglioni (AIDD@ICANN, 2024)

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)