Computer-Aided Molecular Design : Applications in Agrochemicals, Materials, and Pharmaceuticals (ACS Symposium Series)

Computer-Aided Molecular Design : Applications in Agrochemicals, Materials, and Pharmaceuticals (ACS Symposium Series)

Editorial Reviews
Book Description
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.

Computer-Aided Molecular Design: Applications in Agrochemicals, Materials, and Pharmaceuticals (ACS Symposium Series),Charles H. Reynolds,M. Katharine Holloway,Harold K. Cox,An American Chemical Society Publication,0841231605,Agricultural Chemistry,Agriculture - General,Agrochemicals,Ancient and Classical,Chemistry - Physical & Theoretical,Computer simulation,Congresses,Design,Drugs,Literary Criticism,Organic compounds,Pharmaceutical Chemistry,Pharmacy,Science,Science/Mathematics,Atomic & molecular physics,Chemistry | Theoretical Chemistry | Computational Chemistry,Computer aided design (CAD),Hellenic languages,Industrial Chemistry & Manufacturing Technologies,Science / Chemistry / Physical & Theoretical

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