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Overview: This paper presented in SUGI 90 has first described QSAR analysis, a predictive modeling framework that is used by pharmaceutical companies in the drug discovery process. Later, SVM, a learning algorithm for classification and regression is introduced. After a short theoretical argument on the benefits of using SVM for QSAR analysis, an empirical evidence of this approach as compared to other machine learning methodologies when applied to ADMET data set for mutagenicity is presented.
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