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[email protected] Current Computer-Aided Drug Design, 2013, 9, 463-471
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Adapting Interrelated Two-Way Clustering Method for Quantitative Structure-Activity Relationship (QSAR) Modeling of Mutagenicity/NonMutagenicity of a Diverse Set of Chemicals Subhabrata Majumdar1, Subhash C. Basak*,2 and Gregory D. Grunwald2 1
School of Statistics, University of Minnesota- Twin Cities, 224 Church Street SE, Minneapolis, MN 55455, USA
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Natural Resources Research Institute, University of Minnesota Duluth, 5013 Miller Trunk Highway, Duluth, MN 55811, USA Abstract: Interrelated Two-way Clustering (ITC) is an unsupervised clustering method developed to divide samples into two groups in gene expression data obtained through microarrays, selecting important genes simultaneously in the process. This has been found to be a better approach than conventional clustering methods like K-means or selforganizing map for the scenarios when number of samples is much smaller than number of variables (n
