Support vector machines in the prediction of mutagenicity of chemical compounds

Thomas Ferrari, Giuseppina Gini, Emilio Benfenati

Research output: Chapter in Book/Report/Conference proceedingConference contribution

5 Citations (Scopus)

Abstract

In this paper we introduce the problem of predicting the mutagenic toxicity property of chemical compounds and we discuss how this can be partially formulated as a computational intelligence problem. Then we develop a statistical model based on a selected set of descriptors of the molecular structure. The classifier, that we derived from SVM methods, outperforms the available methods in performance and simplicity.

Original languageEnglish
Title of host publicationAnnual Conference of the North American Fuzzy Information Processing Society - NAFIPS
DOIs
Publication statusPublished - 2009
Event2009 Annual Meeting of the North American Fuzzy Information Processing Society, NAFIPS 2009 - Cincinnati, OH, United States
Duration: Jun 14 2009Jun 17 2009

Other

Other2009 Annual Meeting of the North American Fuzzy Information Processing Society, NAFIPS 2009
CountryUnited States
CityCincinnati, OH
Period6/14/096/17/09

Fingerprint

Chemical compounds
Molecular structure
Artificial intelligence
Support vector machines
Toxicity
Support Vector Machine
Classifiers
Computational Intelligence
Prediction
Statistical Model
Descriptors
Simplicity
Classifier
Model-based
Statistical Models

ASJC Scopus subject areas

  • Computer Science(all)
  • Mathematics(all)

Cite this

Ferrari, T., Gini, G., & Benfenati, E. (2009). Support vector machines in the prediction of mutagenicity of chemical compounds. In Annual Conference of the North American Fuzzy Information Processing Society - NAFIPS [5156478] https://doi.org/10.1109/NAFIPS.2009.5156478

Support vector machines in the prediction of mutagenicity of chemical compounds. / Ferrari, Thomas; Gini, Giuseppina; Benfenati, Emilio.

Annual Conference of the North American Fuzzy Information Processing Society - NAFIPS. 2009. 5156478.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Ferrari, T, Gini, G & Benfenati, E 2009, Support vector machines in the prediction of mutagenicity of chemical compounds. in Annual Conference of the North American Fuzzy Information Processing Society - NAFIPS., 5156478, 2009 Annual Meeting of the North American Fuzzy Information Processing Society, NAFIPS 2009, Cincinnati, OH, United States, 6/14/09. https://doi.org/10.1109/NAFIPS.2009.5156478
Ferrari T, Gini G, Benfenati E. Support vector machines in the prediction of mutagenicity of chemical compounds. In Annual Conference of the North American Fuzzy Information Processing Society - NAFIPS. 2009. 5156478 https://doi.org/10.1109/NAFIPS.2009.5156478
Ferrari, Thomas ; Gini, Giuseppina ; Benfenati, Emilio. / Support vector machines in the prediction of mutagenicity of chemical compounds. Annual Conference of the North American Fuzzy Information Processing Society - NAFIPS. 2009.
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