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Applications in Agrochemicals, Materials, and Pharmaceuticals
出版Wiley, 1995-07-27
主題Computers / Design, Graphics & Media / CAD-CAMMedical / PharmacologyMedical / PharmacyScience / Life Sciences / BotanyScience / Chemistry / GeneralScience / Chemistry / OrganicScience / Chemistry / Physical & TheoreticalScience / Physics / Atomic & MolecularTechnology & Engineering / Agriculture / General
ISBN08412316059780841231603
URLhttp://books.google.com.hk/books?id=rM_wAAAAMAAJ&hl=&source=gbs_api
註釋Chronicles recent successes in the application of computer-aided molecular design to the development of new agrochemicals, materials, and pharmaceuticals. Provides an overview of many state-of-the-art modeling techniques, including CoMFA, molecular dynamics, de novo ligand design, QSAR, molecular orbital methods, and genetic algorithms. Includes computational studies of pharmacokinetic properties such as transport and metabolism. Describes modeling of interfacial phenomena, including organic and inorganic surfaces.