2007 | ||
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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) |