Support vector machines in the prediction of mutagenicity of chemical compounds

Thomas Ferrari; Giuseppina Gini; Emilio Benfenati

doi:10.1109/NAFIPS.2009.5156478

Support vector machines in the prediction of mutagenicity of chemical compounds

Thomas Ferrari, Giuseppina Gini, Emilio Benfenati

Istituto di Ricerche Farmacologiche "Mario Negri"

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

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 language	English
Title of host publication	Annual Conference of the North American Fuzzy Information Processing Society - NAFIPS
DOIs	https://doi.org/10.1109/NAFIPS.2009.5156478
Publication status	Published - 2009
Event	2009 Annual Meeting of the North American Fuzzy Information Processing Society, NAFIPS 2009 - Cincinnati, OH, United States Duration: Jun 14 2009 → Jun 17 2009

Other

Other	2009 Annual Meeting of the North American Fuzzy Information Processing Society, NAFIPS 2009
Country/Territory	United States
City	Cincinnati, OH
Period	6/14/09 → 6/17/09

ASJC Scopus subject areas

Computer Science(all)
Mathematics(all)

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10.1109/NAFIPS.2009.5156478

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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

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Support vector machines in the prediction of mutagenicity of chemical compounds

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