Emilio Benfenati

54 papers A 1B 1C 1Misc 2Journal 38Unranked 9

Year	Rank	Type	Title / Venue / Authors
2025	J	`jnl`	Comparison of Optimised Geometric Deep Learning Architectures, over Varying Toxicological Assay Data Environments. CoRR Alexander D. Kalian, Lennart Otte, Jaewook Lee, Emilio Benfenati, Jean-Lou C. M. Dorne, Claire Potter, Olivia J. Osborne, Miao Guo, Christer Hogstrand
2025	J	`jnl`	Simulation peptide toxicity using the fragments of local symmetry in amino acid sequences. Biosyst. Andrey A. Toropov, Alla P. Toropova, Valentin O. Kudyshkin, Emilio Benfenati, Danuta Leszczynska, Jerzy Leszczynski
2024	J	`jnl`	Comprehensive benchmarking of computational tools for predicting toxicokinetic and physicochemical properties of chemicals. J. Cheminformatics 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
2024	J	`jnl`	Quantitative structure-activity relationships of chemical bioactivity toward proteins associated with molecular initiating events of organ-specific toxicity. J. Cheminformatics Domenico Gadaleta, Marina Garcia de Lomana, Eva Serrano-Candelas, Rita Ortega-Vallbona, Rafael Gozalbes, Alessandra Roncaglioni, Emilio Benfenati
2021	J	`jnl`	The index of ideality of correlation improves the predictive potential of models of the antioxidant activity of tripeptides from frog skin ( Comput. Biol. Medicine Alla P. Toropova, Andrey A. Toropov, Alessandra Roncaglioni, Emilio Benfenati
2019	J	`jnl`	Correction to: A new semi-automated workflow for chemical data retrieval and quality checking for modeling applications. J. Cheminformatics Domenico Gadaleta, Anna Lombardo, Cosimo Toma, Emilio Benfenati
2019	J	`jnl`	Methodology of aiQSAR: a group-specific approach to QSAR modelling. J. Cheminformatics Kristijan Vukovic, Domenico Gadaleta, Emilio Benfenati
2019	J	`jnl`	SAR and QSAR modeling of a large collection of LD50 rat acute oral toxicity data. J. Cheminformatics Domenico Gadaleta, Kristijan Vukovic, Cosimo Toma, Giovanna J. Lavado, Agnes L. Karmaus, Kamel Mansouri, Nicole C. Kleinstreuer, Emilio Benfenati, Alessandra Roncaglioni
2018	J	`jnl`	A new semi-automated workflow for chemical data retrieval and quality checking for modeling applications. J. Cheminformatics Domenico Gadaleta, Anna Lombardo, Cosimo Toma, Emilio Benfenati
2018	J	`jnl`	Prediction of antimicrobial activity of large pool of peptides using quasi-SMILES. Biosyst. Alla P. Toropova, Andrey A. Toropov, Emilio Benfenati, Danuta Leszczynska, Jerzy Leszczynski
2018	J	`jnl`	QSAR Modeling of ToxCast Assays Relevant to the Molecular Initiating Events of AOPs Leading to Hepatic Steatosis. J. Chem. Inf. Model. Domenico Gadaleta, Serena Manganelli, Alessandra Roncaglioni, Cosimo Toma, Emilio Benfenati, Enrico Mombelli
2014	J	`jnl`	A generalizable definition of chemical similarity for read-across. J. Cheminformatics Matteo Floris, Alberto Manganaro, Orazio Nicolotti, Ricardo Medda, Giuseppe Felice Mangiatordi, Emilio Benfenati
2013	—	`conf`	VEGA-QSAR: AI Inside a Platform for Predictive Toxicology. PAI@AI*IA Emilio Benfenati, Alberto Manganaro, Giuseppina C. Gini
2012	J	`jnl`	Coral: QSAR models for acute toxicity in fathead minnow ( J. Comput. Chem. Alla P. Toropova, Andrey A. Toropov, Anna Lombardo, Alessandra Roncaglioni, Emilio Benfenati, Giuseppina C. Gini
2012	J	`jnl`	Coral: QSPR modeling of rate constants of reactions between organic aromatic pollutants and hydroxyl radical. J. Comput. Chem. Andrey A. Toropov, Alla P. Toropova, Bakhtiyor F. Rasulev, Emilio Benfenati, Giuseppina C. Gini, Danuta Leszczynska, Jerzy Leszczynski
2011	J	`jnl`	CORAL: Quantitative structure-activity relationship models for estimating toxicity of organic compounds in rats. J. Comput. Chem. Alla P. Toropova, Andrey A. Toropov, Emilio Benfenati, Giuseppina C. Gini, Danuta Leszczynska, Jerzy Leszczynski
2011	J	`jnl`	Evaluating the applicability domain in the case of classification predictive models for carcinogenicity based on the counter propagation artificial neural network. J. Comput. Aided Mol. Des. Natalja Fjodorova, Marjana Novic, Alessandra Roncaglioni, Emilio Benfenati
2011	J	`jnl`	Identification of Toxifying and Detoxifying Moieties for Mutagenicity Prediction by Priority Assessment. J. Chem. Inf. Model. Mosé Casalegno, Emilio Benfenati, Guido Sello
2011	C	`conf`	Mining toxicity structural alerts from SMILES: A new way to derive Structure Activity Relationships. CIDM Thomas Ferrari, Giuseppina C. Gini, Nazanin Golbamaki Bakhtyari, Emilio Benfenati
2010	J	`jnl`	SMILES-based optimal descriptors: QSAR analysis of fullerene-based HIV-1 PR inhibitors by means of balance of correlations. J. Comput. Chem. Andrey A. Toropov, Alla P. Toropova, Emilio Benfenati, Danuta Leszczynska, Jerzy Leszczynski
2009	J	`jnl`	QSPR modeling of enthalpies of formation for organometallic compounds by SMART-based optimal descriptors. J. Comput. Chem. Andrey A. Toropov, Alla P. Toropova, Emilio Benfenati, Alberto Manganaro
2008	J	`jnl`	Definition and Detection of Outliers in Chemical Space. J. Chem. Inf. Model. Mosé Casalegno, Guido Sello, Emilio Benfenati
2007	J	`jnl`	E-Modelling: Foundations and Cases for Applying AI to Life Sciences. Int. J. Artif. Intell. Tools Giuseppina C. Gini, Emilio Benfenati
2007	—	`ch.`	Open Computing Grid for Molecular Sciences. Grid Computing for Bioinformatics and Computational Biology Mathilde Romberg, Emilio Benfenati, Werner Dubitzky
2007	J	`jnl`	SMILES as an alternative to the graph in QSAR modelling of bee toxicity. Comput. Biol. Chem. Andrey A. Toropov, Emilio Benfenati
2006	J	`jnl`	Data-driven modeling and prediction of acute toxicity of pesticide residues. SIGKDD Explor. Frank Lemke, Emilio Benfenati, Johann-Adolf Müller
2006	—	`conf`	Grid Computing for the Estimation of Toxicity: Acute Toxicity on Fathead Minnow ( GCCB Uko Maran, Sulev Sild, Paolo Mazzatorta, Mosé Casalegno, Emilio Benfenati, Mathilde Romberg
2005	J	`jnl`	3D-QSAR and Molecular Mechanics Study for the Differences in the Azole Activity against Yeastlike and Filamentous Fungi and Their Relation to P450DM Inhibition. 1. 3-Substituted-4(3H)-quinazolinones. J. Chem. Inf. Model. Filip Fratev, Emilio Benfenati
2005	J	`jnl`	Description of the Electronic Structure of Organic Chemicals Using Semiempirical and Ab Initio Methods for Development of Toxicological QSARs. J. Chem. Inf. Model. Tatiana I. Netzeva, Aynur O. Aptula, Emilio Benfenati, Mark T. D. Cronin, Giuseppina C. Gini, Iglika Lessigiarska, Uko Maran, Marjan Vracko, Gerrit Schüürmann
2005	—	`conf`	OpenMolGRID: Using Automated Workflows in GRID Computing Environment. EGC Sulev Sild, Uko Maran, Mathilde Romberg, Bernd Schuller, Emilio Benfenati
2005	J	`jnl`	QSAR Model for Predicting Pesticide Aquatic Toxicity. J. Chem. Inf. Model. Paolo Mazzatorta, Martin Smiesko, Elena Lo Piparo, Emilio Benfenati
2005	J	`jnl`	Thermodynamic Descriptors Derived from Density Functional Theory Calculations in Prediction of Aquatic Toxicity. J. Chem. Inf. Model. Martin Smiesko, Emilio Benfenati
2004	J	`jnl`	Classification of Potential Endocrine Disrupters on the Basis of Molecular Structure Using a Nonlinear Modeling Method. J. Chem. Inf. Model. Alessandra Roncaglioni, Marjana Novic, Marjan Vracko, Emilio Benfenati
2004	J	`jnl`	Combining Unsupervised and Supervised Artificial Neural Networks to PredictAquatic Toxicity. J. Chem. Inf. Model. Giuseppina C. Gini, Marian Viorel Craciun, Christoph König, Emilio Benfenati
2004	—	`ed.`	Knowledge Exploration in Life Science Informatics, International Symposium,KELSI 2004, Milan, Italy, November 25-26, 2004, Proceedings KELSI Jesús A. López, Emilio Benfenati, Werner Dubitzky
2004	—	`conf`	Modelling Aquatic Toxicity with Advanced Computational Techniques: Procedures to Standardize Data and Compare Models. KELSI Emilio Benfenati
2004	—	`conf`	Modelling and Prediction of Toxicity of Environmental Pollutants. KELSI Frank Lemke, Johann-Adolf Müller, Emilio Benfenati
2004	J	`jnl`	Multiclass Classifier From A Combination Of Local Experts: Toward Distributed Computation For Real-Problem Classifiers. Int. J. Pattern Recognit. Artif. Intell. Christoph König, Giuseppina C. Gini, Marian Viorel Craciun, Emilio Benfenati
2004	Misc	`conf`	OpenMolGRIND: Molecular Science and Engineering in a Grid Context. PDPTA Paolo Mazzatorta, Emilio Benfenati, Bernd Schuller, Mathilde Romberg, Damian McCourt, Werner Dubitzky, Sulev Sild, Mati Karelson, Ákos Papp, István Bágyi, Ferenc Darvas
2004	J	`jnl`	Predictive Models for Aquatic Toxicity of Aldehydes Designed for Various Model Chemistries. J. Chem. Inf. Model. Martin Smiesko, Emilio Benfenati
2004	J	`jnl`	QSAR in Ecotoxicity: An Overview of Modern Classification Techniques. J. Chem. Inf. Model. Paolo Mazzatorta, Emilio Benfenati, Paola Lorenzini, Marco Vighi
2003	J	`jnl`	ANVAS: Artificial Neural Variables Adaptation System for descriptor selection. J. Comput. Aided Mol. Des. Paolo Mazzatorta, Marjan Vracko, Emilio Benfenati
2003	J	`jnl`	Modeling Toxicity by Using Supervised Kohonen Neural Networks. J. Chem. Inf. Comput. Sci. Paolo Mazzatorta, Marjan Vracko, Aneta Jezierska, Emilio Benfenati
2003	Misc	`conf`	Towards and Intelligent Data Type for Toxicity. IC-AI Damian McCourt, Jesús A. López, Emilio Benfenati, Paolo Mazzatorta, Mathilde Romberg, Bernd Schuller, Werner Dubitzky
2003	J	`jnl`	Tuning Neural and Fuzzy-Neural Networks for Toxicity Modeling. J. Chem. Inf. Comput. Sci. Paolo Mazzatorta, Emilio Benfenati, Ciprian Daniel Neagu, Giuseppina C. Gini
2002	—	`conf`	Combining Classifiers of Pesticides Toxicity through a Neuro-fuzzy Approach. Multiple Classifier Systems Emilio Benfenati, Paolo Mazzatorta, Daniel Neagu, Giuseppina C. Gini
2002	A	`conf`	Neuro-Fuzzy Knowledge Representation for Toxicity Prediction of Organic Compounds. ECAI Ciprian Daniel Neagu, Emilio Benfenati, Giuseppina C. Gini, Paolo Mazzatorta, Alessandra Roncaglioni
2002	—	`conf`	Results from a Data Mining Approach to Predictive Toxicology. The Case of Pesticides Data. PRIS Giuseppina C. Gini, Emilio Benfenati
2002	J	`jnl`	The Importance of Scaling in Data Mining for Toxicity Prediction. J. Chem. Inf. Comput. Sci. Paolo Mazzatorta, Emilio Benfenati, Daniel Neagu, Giuseppina C. Gini
2001	J	`jnl`	Interpretation of Quantitative Structure-Property and -Activity Relationships. J. Chem. Inf. Comput. Sci. Alan R. Katritzky, Ruslan Petrukhin, Douglas B. Tatham, Subhash C. Basak, Emilio Benfenati, Mati Karelson, Uko Maran
2001	—	`conf`	Mixing a Symbolic and a Subsymbolic Expert to Improve Carcinogenicity Prediction of Aromatic Compounds. Multiple Classifier Systems Giuseppina C. Gini, Marco Lorenzini, Emilio Benfenati, Raffaella Brambilla, Luca Malvé
2000	B	`conf`	Clustering and classification techniques to assess aquatic toxicity. KES Giuseppina C. Gini, Emilio Benfenati, Daniel Boley
1999	J	`jnl`	Predictive Carcinogenicity: A Model for Aromatic Compounds, with Nitrogen-Containing Substituents, Based on Molecular Descriptors Using an Artificial Neural Network. J. Chem. Inf. Comput. Sci. Giuseppina C. Gini, Marco Lorenzini, Emilio Benfenati, Paola Grasso, Maurizio Bruschi
1999	—	`conf`	Predictive Toxicology Results Integrating Different AI Paradigms: The Carcinogenicity Case. IIA/SOCO Giuseppina C. Gini, Emilio Benfenati, Paola Grasso, Marco Lorenzini