http://www.loc.gov/mods/v3 http://www.loc.gov/standards/mods/v3/mods-3-2.xsd
Virtual screening for bioactive molecules
1 online resource (xviii, 307 pages) : illustrations
Recent progress in high-throughput screening, combinatorial chemistry and molecular biology has radically changed the approach to drug discovery in the pharmaceutical industry. New challenges in synthesis result in new analytical methods. At present, typically 100,000 to one million molecules have to be tested within a short period and, therefore, highly effective screening methods are necessary for today's researchers - preparing and characterizing one compound after another belongs to the past. Intelligent, computer-based search agents are needed and "virtual screening" provides so
High-throughput screening and virtual screening: entry points to drug discovery / Richard M. Eglen, Gisbert Schneider, Hans-Joachim Böhm -- Library filtering systems and prediction of drug-like properties / W. Patrick Walters, Mark A. Murcko -- Prediction of physicochemical properties / Jeff J. Morris, Pierre P. Bruneau -- Descriptor-based similarity measures for screening chemical databases / John M. Barnard, Geoffrey M. Downs, Peter Willett -- Modelling structure-activity relationships / Gianpaolo Bravi [and others] -- Database profiling by neural networks / Jens Sadowski -- Pharmacophore pattern application in virtual screening, library design and QSAR / Andrew C. Good, Jonathan S. Mason, Stephen D. Pickett -- Evolutionary molecular design in virtual fitness landscapes / Gisbert Schneider -- Practical approaches to evolutionary design / Lutz Weber -- Understanding receptor-ligand interactions as a prerequisite for virtual screening / Gerhard Klebe [and others] -- Structure-based library design / Martin Stahl -- The measurement of molecular diversity / Dimitris K. Agrafiotis [and others].
edited by Hans-Joachim Böhm and Gisbert Schneider.
Electronic reproduction. [Place of publication not identified] : HathiTrust Digital Library, 2010. MiAaHDL
Master and use copy. Digital master created according to Benchmark for Faithful Digital Reproductions of Monographs and Serials, Version 1. Digital Library Federation, December 2002. http://purl.oclc.org/DLF/benchrepro0212 MiAaHDL
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Includes bibliographical references and index.
Structure-activity relationships (Biochemistry)
Methods and principles in medicinal chemistry ; v. 10