Brown, Nathan (Medicinal chemist) text bibliography Electronic books. Electronic books. gw 2013 2014 monographic eng

electronic resource

1 online resource (326 pages) : illustrations (some color). Scaffolds: identification, representation diversity, and navigation -- Identifying and representing scaffolds -- Markush structures and chemical patents -- Scaffold diversity in medicinal chemistry space -- Scaffold mining of publicly available compound data -- Exploring virtual scaffold spaces -- Scaffold-hopping methods -- Similarity-based scaffold hopping using 2D fingerprints -- CATS for scaffold hopping in medicinal chemistry -- Reduced graphs -- Feature trees -- Feature point pharmacophores (FEPOPS) -- Three-dimensional scaffold replacement methods -- Spherical harmonic molecular surfaces (ParaSurf and ParaFit) -- The XED force field and spark -- Molecular interaction fingerprints -- SkelGen -- Case Studies -- Case study 1: scaffold hopping for T-type calcium channel and glycine transporter type inhibitors -- Case study 2: bioisosteric replacements for the neurokinin receptor (NK1R) -- Case study 3: fragment hopping to design highly potent and selective neuronal nitric oxide synthase inhibitors. edited by Nathan Brown. Includes bibliographical references and index. Pharmaceutical chemistry Chemistry, Pharmaceutical methods Drug Design Pharmaceutical Preparations chemistry Drug Evaluation, Preclinical methods Databases, Factual MEDICAL Pharmacology Pharmaceutical chemistry RS403 QV745 615.1/9 615.1 615.190076 9783527665174 352766517X 9783527665167 3527665161 9783527665150 3527665153 9783527665143 3527665145 9781306091008 1306091004 540351 MIL http://onlinelibrary.wiley.com/book/10.1002/9783527665143 http://onlinelibrary.wiley.com/book/10.1002/9783527665143 IDEBK 131108 20171105094414.0 ocn862371218 eng