03738cam a2200721Ii 4500 ocn862371218 OCoLC 20171105094414.0 m o d cr ||||||||||| 131108t20132014gw a ob 001 0 eng d 9783527665174 (ePDF ISBN) 352766517X (ePDF ISBN) 9783527665167 (ePub ISBN) 3527665161 (ePub ISBN) 9783527665150 (Mobi ISBN) 3527665153 (Mobi ISBN) 9783527665143 (oBook ISBN) 3527665145 (oBook ISBN) 9781306091008 (ebk) 1306091004 (ebk) 9783527333646 (print ISBN) 3527333649 (print ISBN) AU@ 000052334826 NZ1 15340127 NZ1 16062184 DEBBG BV043396330 (OCoLC)862371218 (OCoLC)864684347 (OCoLC)868979349 (OCoLC)911609747 (OCoLC)961644950 (OCoLC)962638683 540351 MIL IDEBK eng rda pn IDEBK EBLCP OCLCQ DG1 N$T CDX YDXCP MMU OCLCF OCLCQ RECBK E7B NAM COO DEBBG MAIN RS403 QV745 MED 071000 bisacsh 615.1/9 23 615.1 615.190076 Scaffold hopping in medicinal chemistry / edited by Nathan Brown. [electronic resource] Weinheim, Germany : Wiley-VCH Verlag GmbH & Co., KGaA, 2013. ©2014 1 online resource (326 pages) : illustrations (some color). text txt rdacontent computer c rdamedia online resource cr rdacarrier Methods and principles in medicinal chemistry ; volume 58 Includes bibliographical references and index. 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. Online resource; title from resource home page (ebrary, viewed on June 25, 2014). Pharmaceutical chemistry. Chemistry, Pharmaceutical methods. Drug Design. Pharmaceutical Preparations chemistry. Drug Evaluation, Preclinical methods. Databases, Factual. MEDICAL Pharmacology. bisacsh Pharmaceutical chemistry. fast (OCoLC)fst01060115 Electronic books. Electronic books. Brown, Nathan (Medicinal chemist) Print version: 9781306091008 9783527333646 Methods and principles in medicinal chemistry ; v. 58. http://onlinelibrary.wiley.com/book/10.1002/9783527665143 Wiley Online Library ddc BK 207079 207079