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2020 – today
- 2021
[j34]Alla P. Toropova
, Andrey A. Toropov, Alessandra Roncaglioni, Emilio Benfenati:
The index of ideality of correlation improves the predictive potential of models of the antioxidant activity of tripeptides from frog skin (Litoria rubella). Comput. Biol. Medicine 133: 104370 (2021)
2010 – 2019
- 2019
- [j33]Kristijan Vukovic, Domenico Gadaleta, Emilio Benfenati:
Methodology of aiQSAR: a group-specific approach to QSAR modelling. J. Cheminformatics 11(1): 27:1-27:9 (2019) - [j32]Domenico Gadaleta, Anna Lombardo, Cosimo Toma, Emilio Benfenati:
Correction to: A new semi-automated workflow for chemical data retrieval and quality checking for modeling applications. J. Cheminformatics 11(1): 31:1 (2019) - [j31]Domenico Gadaleta, Kristijan Vukovic, Cosimo Toma, Giovanna J. Lavado, Agnes L. Karmaus, Kamel Mansouri, Nicole C. Kleinstreuer, Emilio Benfenati, Alessandra Roncaglioni:
SAR and QSAR modeling of a large collection of LD50 rat acute oral toxicity data. J. Cheminformatics 11(1): 58:1-58:16 (2019) - 2018
- [j30]Alla P. Toropova, Andrey A. Toropov, Emilio Benfenati, Danuta Leszczynska, Jerzy Leszczynski:
Prediction of antimicrobial activity of large pool of peptides using quasi-SMILES. Biosyst. 169-170: 5-12 (2018) - [j29]Domenico Gadaleta, Anna Lombardo, Cosimo Toma, Emilio Benfenati:
A new semi-automated workflow for chemical data retrieval and quality checking for modeling applications. J. Cheminformatics 10(1): 60:1-60:13 (2018) - [j28]Domenico Gadaleta, Serena Manganelli, Alessandra Roncaglioni, Cosimo Toma, Emilio Benfenati, Enrico Mombelli:
QSAR Modeling of ToxCast Assays Relevant to the Molecular Initiating Events of AOPs Leading to Hepatic Steatosis. J. Chem. Inf. Model. 58(8): 1501-1517 (2018) - 2014
- [j27]Matteo Floris, Alberto Manganaro, Orazio Nicolotti, Ricardo Medda, Giuseppe Felice Mangiatordi, Emilio Benfenati:
A generalizable definition of chemical similarity for read-across. J. Cheminformatics 6(1): 39 (2014) - 2013
- [c14]Emilio Benfenati, Alberto Manganaro, Giuseppina C. Gini:
VEGA-QSAR: AI Inside a Platform for Predictive Toxicology. PAI@AI*IA 2013: 21-28 - 2012
- [j26]Alla P. Toropova, Andrey A. Toropov, Anna Lombardo, Alessandra Roncaglioni, Emilio Benfenati, Giuseppina C. Gini:
Coral: QSAR models for acute toxicity in fathead minnow (Pimephales promelas). J. Comput. Chem. 33(12): 1218-1223 (2012) - [j25]Andrey A. Toropov, Alla P. Toropova, Bakhtiyor F. Rasulev, Emilio Benfenati, Giuseppina C. Gini, Danuta Leszczynska, Jerzy Leszczynski:
Coral: QSPR modeling of rate constants of reactions between organic aromatic pollutants and hydroxyl radical. J. Comput. Chem. 33(23): 1902-1906 (2012) - 2011
- [j24]Natalja Fjodorova, Marjana Novic, Alessandra Roncaglioni, Emilio Benfenati:
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. 25(12): 1147-1158 (2011) - [j23]Alla P. Toropova, Andrey A. Toropov, Emilio Benfenati, Giuseppina C. Gini, Danuta Leszczynska, Jerzy Leszczynski:
CORAL: Quantitative structure-activity relationship models for estimating toxicity of organic compounds in rats. J. Comput. Chem. 32(12): 2727-2733 (2011) - [j22]Mosé Casalegno, Emilio Benfenati, Guido Sello:
Identification of Toxifying and Detoxifying Moieties for Mutagenicity Prediction by Priority Assessment. J. Chem. Inf. Model. 51(7): 1564-1574 (2011) - [c13]Thomas Ferrari, Giuseppina C. Gini, Nazanin Golbamaki Bakhtyari, Emilio Benfenati:
Mining toxicity structural alerts from SMILES: A new way to derive Structure Activity Relationships. CIDM 2011: 120-127 - 2010
- [j21]Andrey A. Toropov, Alla P. Toropova, Emilio Benfenati, Danuta Leszczynska, Jerzy Leszczynski:
SMILES-based optimal descriptors: QSAR analysis of fullerene-based HIV-1 PR inhibitors by means of balance of correlations. J. Comput. Chem. 31(2): 381-392 (2010)
2000 – 2009
- 2009
- [j20]Andrey A. Toropov, Alla P. Toropova, Emilio Benfenati, Alberto Manganaro:
QSPR modeling of enthalpies of formation for organometallic compounds by SMART-based optimal descriptors. J. Comput. Chem. 30(15): 2576-2582 (2009) - 2008
- [j19]Mosé Casalegno, Guido Sello, Emilio Benfenati:
Definition and Detection of Outliers in Chemical Space. J. Chem. Inf. Model. 48(8): 1592-1601 (2008) - 2007
- [j18]Andrey A. Toropov, Emilio Benfenati:
SMILES as an alternative to the graph in QSAR modelling of bee toxicity. Comput. Biol. Chem. 31(1): 57-60 (2007) - [j17]Giuseppina C. Gini, Emilio Benfenati:
E-Modelling: Foundations and Cases for Applying AI to Life Sciences. Int. J. Artif. Intell. Tools 16(2): 243-268 (2007) - [p1]Mathilde Romberg, Emilio Benfenati, Werner Dubitzky:
Open Computing Grid for Molecular Sciences. Grid Computing for Bioinformatics and Computational Biology 2007: 1-21 - 2006
- [j16]Frank Lemke, Emilio Benfenati, Johann-Adolf Müller:
Data-driven modeling and prediction of acute toxicity of pesticide residues. SIGKDD Explor. 8(1): 71-79 (2006) - [c12]Uko Maran, Sulev Sild, Paolo Mazzatorta, Mosé Casalegno, Emilio Benfenati, Mathilde Romberg:
Grid Computing for the Estimation of Toxicity: Acute Toxicity on Fathead Minnow (Pimephales promelas). GCCB 2006: 60-74 - 2005
- [j15]Tatiana I. Netzeva, Aynur O. Aptula, Emilio Benfenati, Mark T. D. Cronin, Giuseppina C. Gini, Iglika Lessigiarska, Uko Maran, Marjan Vracko, Gerrit Schüürmann:
Description of the Electronic Structure of Organic Chemicals Using Semiempirical and Ab Initio Methods for Development of Toxicological QSARs. J. Chem. Inf. Model. 45(1): 106-114 (2005) - [j14]Martin Smiesko, Emilio Benfenati:
Thermodynamic Descriptors Derived from Density Functional Theory Calculations in Prediction of Aquatic Toxicity. J. Chem. Inf. Model. 45(2): 379-385 (2005) - [j13]Filip Fratev, Emilio Benfenati:
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. 45(3): 634-644 (2005) - [j12]Paolo Mazzatorta, Martin Smiesko, Elena Lo Piparo, Emilio Benfenati:
QSAR Model for Predicting Pesticide Aquatic Toxicity. J. Chem. Inf. Model. 45(6): 1767-1774 (2005) - [c11]Sulev Sild, Uko Maran, Mathilde Romberg, Bernd Schuller, Emilio Benfenati:
OpenMolGRID: Using Automated Workflows in GRID Computing Environment. EGC 2005: 464-473 - 2004
- [j11]Christoph König, Giuseppina C. Gini, Marian Viorel Craciun, Emilio Benfenati:
Multiclass Classifier From A Combination Of Local Experts: Toward Distributed Computation For Real-Problem Classifiers. Int. J. Pattern Recognit. Artif. Intell. 18(5): 801-817 (2004) - [j10]Paolo Mazzatorta, Emilio Benfenati, Paola Lorenzini, Marco Vighi:
QSAR in Ecotoxicity: An Overview of Modern Classification Techniques. J. Chem. Inf. Model. 44(1): 105-112 (2004) - [j9]Alessandra Roncaglioni, Marjana Novic, Marjan Vracko, Emilio Benfenati:
Classification of Potential Endocrine Disrupters on the Basis of Molecular Structure Using a Nonlinear Modeling Method. J. Chem. Inf. Model. 44(2): 300-309 (2004) - [j8]Martin Smiesko, Emilio Benfenati:
Predictive Models for Aquatic Toxicity of Aldehydes Designed for Various Model Chemistries. J. Chem. Inf. Model. 44(3): 976-984 (2004) - [j7]Giuseppina C. Gini, Marian Viorel Craciun, Christoph König, Emilio Benfenati:
Combining Unsupervised and Supervised Artificial Neural Networks to PredictAquatic Toxicity. J. Chem. Inf. Model. 44(6): 1897-1902 (2004) - [c10]Frank Lemke, Johann-Adolf Müller, Emilio Benfenati:
Modelling and Prediction of Toxicity of Environmental Pollutants. KELSI 2004: 221-234 - [c9]Emilio Benfenati:
Modelling Aquatic Toxicity with Advanced Computational Techniques: Procedures to Standardize Data and Compare Models. KELSI 2004: 235-248 - [c8]Paolo Mazzatorta, Emilio Benfenati, Bernd Schuller, Mathilde Romberg, Damian McCourt, Werner Dubitzky, Sulev Sild, Mati Karelson, Ákos Papp, István Bágyi, Ferenc Darvas:
OpenMolGRIND: Molecular Science and Engineering in a Grid Context. PDPTA 2004: 775-779 - [e1]Jesús A. López, Emilio Benfenati, Werner Dubitzky:
Knowledge Exploration in Life Science Informatics, International Symposium,KELSI 2004, Milan, Italy, November 25-26, 2004, Proceedings. Lecture Notes in Computer Science 3303, Springer 2004, ISBN 3-540-23927-8 [contents] - 2003
- [j6]Paolo Mazzatorta, Marjan Vracko, Emilio Benfenati:
ANVAS: Artificial Neural Variables Adaptation System for descriptor selection. J. Comput. Aided Mol. Des. 17(5-6): 335-346 (2003) - [j5]Paolo Mazzatorta, Marjan Vracko, Aneta Jezierska, Emilio Benfenati:
Modeling Toxicity by Using Supervised Kohonen Neural Networks. J. Chem. Inf. Comput. Sci. 43(2): 485-492 (2003) - [j4]Paolo Mazzatorta, Emilio Benfenati, Ciprian-Daniel Neagu, Giuseppina C. Gini:
Tuning Neural and Fuzzy-Neural Networks for Toxicity Modeling. J. Chem. Inf. Comput. Sci. 43(2): 513-518 (2003) - [c7]Damian McCourt, Jesús A. López, Emilio Benfenati, Paolo Mazzatorta, Mathilde Romberg, Bernd Schuller, Werner Dubitzky:
Towards and Intelligent Data Type for Toxicity. IC-AI 2003: 328-334 - 2002
- [j3]Paolo Mazzatorta, Emilio Benfenati, Daniel Neagu, Giuseppina C. Gini:
The Importance of Scaling in Data Mining for Toxicity Prediction. J. Chem. Inf. Comput. Sci. 42(5): 1250-1255 (2002) - [c6]Ciprian-Daniel Neagu, Emilio Benfenati, Giuseppina C. Gini, Paolo Mazzatorta, Alessandra Roncaglioni:
Neuro-Fuzzy Knowledge Representation for Toxicity Prediction of Organic Compounds. ECAI 2002: 498-502 - [c5]Emilio Benfenati, Paolo Mazzatorta, Daniel Neagu, Giuseppina C. Gini:
Combining Classifiers of Pesticides Toxicity through a Neuro-fuzzy Approach. Multiple Classifier Systems 2002: 293-303 - [c4]Giuseppina C. Gini, Emilio Benfenati:
Results from a Data Mining Approach to Predictive Toxicology. The Case of Pesticides Data. PRIS 2002: 114-123 - 2001
- [j2]Alan R. Katritzky, Ruslan Petrukhin, Douglas B. Tatham, Subhash C. Basak, Emilio Benfenati, Mati Karelson, Uko Maran:
Interpretation of Quantitative Structure-Property and -Activity Relationships. J. Chem. Inf. Comput. Sci. 41(3): 679-685 (2001) - [c3]Giuseppina C. Gini, Marco Lorenzini, Emilio Benfenati, Raffaella Brambilla, Luca Malvé:
Mixing a Symbolic and a Subsymbolic Expert to Improve Carcinogenicity Prediction of Aromatic Compounds. Multiple Classifier Systems 2001: 126-135 - 2000
- [c2]Giuseppina C. Gini, Emilio Benfenati, Daniel Boley:
Clustering and classification techniques to assess aquatic toxicity. KES 2000: 166-172
1990 – 1999
- 1999
- [j1]Giuseppina C. Gini, Marco Lorenzini, Emilio Benfenati, Paola Grasso, Maurizio Bruschi:
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. 39(6): 1076-1080 (1999) - [c1]Giuseppina C. Gini, Emilio Benfenati, Paola Grasso, Marco Lorenzini:
Predictive Toxicology Results Integrating Different AI Paradigms: The Carcinogenicity Case. IIA/SOCO 1999
Coauthor Index
aka: Giuseppina C. Gini
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