2007 |
31 | EE | Andrey A. Toropov,
Emilio Benfenati:
SMILES as an alternative to the graph in QSAR modelling of bee toxicity.
Computational Biology and Chemistry 31(1): 57-60 (2007) |
30 | EE | Giuseppina C. Gini,
Emilio Benfenati:
E-Modelling: Foundations and Cases for Applying AI to Life Sciences.
International Journal on Artificial Intelligence Tools 16(2): 243-268 (2007) |
2006 |
29 | EE | 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 |
28 | EE | Frank Lemke,
Emilio Benfenati,
Johann-Adolf Müller:
Data-driven modeling and prediction of acute toxicity of pesticide residues.
SIGKDD Explorations 8(1): 71-79 (2006) |
2005 |
27 | EE | Sulev Sild,
Uko Maran,
Mathilde Romberg,
Bernd Schuller,
Emilio Benfenati:
OpenMolGRID: Using Automated Workflows in GRID Computing Environment.
EGC 2005: 464-473 |
26 | EE | 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.
Journal of Chemical Information and Modeling 45(1): 106-114 (2005) |
25 | EE | Martin Smiesko,
Emilio Benfenati:
Thermodynamic Descriptors Derived from Density Functional Theory Calculations in Prediction of Aquatic Toxicity.
Journal of Chemical Information and Modeling 45(2): 379-385 (2005) |
24 | EE | 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.
Journal of Chemical Information and Modeling 45(3): 634-644 (2005) |
23 | EE | Paolo Mazzatorta,
Martin Smiesko,
Elena Lo Piparo,
Emilio Benfenati:
QSAR Model for Predicting Pesticide Aquatic Toxicity.
Journal of Chemical Information and Modeling 45(6): 1767-1774 (2005) |
2004 |
22 | | Jesús A. López,
Emilio Benfenati,
Werner Dubitzky:
Knowledge Exploration in Life Science Informatics, International Symposium,KELSI 2004, Milan, Italy, November 25-26, 2004, Proceedings
Springer 2004 |
21 | EE | Frank Lemke,
Johann-Adolf Müller,
Emilio Benfenati:
Modelling and Prediction of Toxicity of Environmental Pollutants.
KELSI 2004: 221-234 |
20 | EE | Emilio Benfenati:
Modelling Aquatic Toxicity with Advanced Computational Techniques: Procedures to Standardize Data and Compare Models.
KELSI 2004: 235-248 |
19 | | 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 |
18 | EE | 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.
IJPRAI 18(5): 801-817 (2004) |
17 | EE | Paolo Mazzatorta,
Emilio Benfenati,
Paola Lorenzini,
Marco Vighi:
QSAR in Ecotoxicity: An Overview of Modern Classification Techniques.
Journal of Chemical Information and Modeling 44(1): 105-112 (2004) |
16 | EE | Alessandra Roncaglioni,
Marjana Novic,
Marjan Vracko,
Emilio Benfenati:
Classification of Potential Endocrine Disrupters on the Basis of Molecular Structure Using a Nonlinear Modeling Method.
Journal of Chemical Information and Modeling 44(2): 300-309 (2004) |
15 | EE | Martin Smiesko,
Emilio Benfenati:
Predictive Models for Aquatic Toxicity of Aldehydes Designed for Various Model Chemistries.
Journal of Chemical Information and Modeling 44(3): 976-984 (2004) |
14 | EE | Giuseppina C. Gini,
Marian Viorel Craciun,
Christoph König,
Emilio Benfenati:
Combining Unsupervised and Supervised Artificial Neural Networks to PredictAquatic Toxicity.
Journal of Chemical Information and Modeling 44(6): 1897-1902 (2004) |
2003 |
13 | | 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 |
12 | EE | Paolo Mazzatorta,
Marjan Vracko,
Aneta Jezierska,
Emilio Benfenati:
Modeling Toxicity by Using Supervised Kohonen Neural Networks.
Journal of Chemical Information and Computer Sciences 43(2): 485-492 (2003) |
11 | EE | Paolo Mazzatorta,
Emilio Benfenati,
Ciprian-Daniel Neagu,
Giuseppina C. Gini:
Tuning Neural and Fuzzy-Neural Networks for Toxicity Modeling.
Journal of Chemical Information and Computer Sciences 43(2): 513-518 (2003) |
10 | | Paolo Mazzatorta,
Marjan Vracko,
Emilio Benfenati:
ANVAS: Artificial Neural Variables Adaptation System for descriptor selection.
Journal of Computer-Aided Molecular Design 17(5-6): 335-346 (2003) |
2002 |
9 | | 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 |
8 | EE | 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 |
7 | | Giuseppina C. Gini,
Emilio Benfenati:
Results from a Data Mining Approach to Predictive Toxicology. The Case of Pesticides Data.
PRIS 2002: 114-123 |
6 | EE | Paolo Mazzatorta,
Emilio Benfenati,
Daniel Neagu,
Giuseppina C. Gini:
The Importance of Scaling in Data Mining for Toxicity Prediction.
Journal of Chemical Information and Computer Sciences 42(5): 1250-1255 (2002) |
2001 |
5 | EE | 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 |
4 | EE | 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.
Journal of Chemical Information and Computer Sciences 41(3): 679-685 (2001) |
2000 |
3 | EE | Giuseppina C. Gini,
Emilio Benfenati,
Daniel Boley:
Clustering and classification techniques to assess aquatic toxicity.
KES 2000: 166-172 |
1999 |
2 | | Giuseppina C. Gini,
Emilio Benfenati,
Paola Grasso,
Marco Lorenzini:
Predictive Toxicology Results Integrating Different AI Paradigms: The Carcinogenicity Case.
IIA/SOCO 1999 |
1 | EE | 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.
Journal of Chemical Information and Computer Sciences 39(6): 1076-1080 (1999) |