Structural Contributions of Substrates to their Binding to P-Glycoprotein. A TOPSMODE Approach
Keywords: (MDRR); Automated Rule-Extraction; DEREK; MULTICASE; P-glycoprotein; P-gp Efflux; PSET; QSAR; Randi ’s method; Spectral Moments; TOPKAT; TOPS-MODE; TSET; biophore; graph-theory descriptors; knowledge generation; linear discriminant analysis (LDA); molecular modeling; natural detoxification system; orthogonalization
Document Type: Research Article
Affiliations: Department of Mathematics and Statistics, Department of Physics, Institute of Complexity Systems, University of Strathclyde Glasgow, G1 1XQ, UK.
Publication date: August 1, 2010
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