Browsing Electronic Theses and Dissertations by Subject "QSAR"
Now showing items 1-2 of 2
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(2012-07-26)Department: Interdisciplinary Studies: Interdisciplinary PharmacologyA novel three dimensional stereoselective descriptor for use in ligand-based computer-aided drug design (CADD) is presented in this thesis. CADD is an important tool for drug discovery and ligand-based CADD involves the ...
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(2014-07-28)Department: ChemistryQuantitative structure activity relationship (QSAR) modeling using high-throughput screening (HTS) data enables the development of predictive models for in silico screening. A cheminformatics framework termed BCL::ChemInfo ...