000			03764cam a2200733Ii 4500
001			ocn862371218
003			OCoLC
005			20220701010932.0
006			m o d
007			cr |||||||||||
008			131108t20132014gw a ob 001 0 eng d
040			_aIDEBK _beng _erda _epn _cIDEBK _dEBLCP _dOCLCQ _dDG1 _dN$T _dCDX _dYDXCP _dMMU _dOCLCF _dOCLCQ _dRECBK _dE7B _dNAM _dCOO _dDEBBG
019			_a864684347 _a868979349 _a911609747 _a961644950 _a962638683
020			_a9783527665174 _q(ePDF ISBN)
020			_a352766517X _q(ePDF ISBN)
020			_a9783527665167 _q(ePub ISBN)
020			_a3527665161 _q(ePub ISBN)
020			_a9783527665150 _q(Mobi ISBN)
020			_a3527665153 _q(Mobi ISBN)
020			_a9783527665143 _q(oBook ISBN)
020			_a3527665145 _q(oBook ISBN)
020			_a9781306091008 _q(ebk)
020			_a1306091004 _q(ebk)
020			_z9783527333646 _q(print ISBN)
020			_z3527333649 _q(print ISBN)
029	1		_aAU@ _b000052334826
029	1		_aNZ1 _b15340127
029	1		_aNZ1 _b16062184
029	1		_aDEBBG _bBV043396330
035			_a(OCoLC)862371218 _z(OCoLC)864684347 _z(OCoLC)868979349 _z(OCoLC)911609747 _z(OCoLC)961644950 _z(OCoLC)962638683
037			_a540351 _bMIL
050		4	_aRS403
050		4	_aQV745
072		7	_aMED _x071000 _2bisacsh
082	0	4	_a615.1/9 _223
082	0	4	_a615.1 _a615.190076
049			_aMAIN
245	0	0	_aScaffold hopping in medicinal chemistry / _cedited by Nathan Brown.
264		1	_aWeinheim, Germany : _bWiley-VCH Verlag GmbH & Co., KGaA, _c2013.
264		4	_c©2014
300			_a1 online resource (326 pages) : _billustrations (some color).
336			_atext _btxt _2rdacontent
337			_acomputer _bc _2rdamedia
338			_aonline resource _bcr _2rdacarrier
490	1		_aMethods and principles in medicinal chemistry ; _vvolume 58
504			_aIncludes bibliographical references and index.
505	0		_aScaffolds: 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.
588	0		_aOnline resource; title from resource home page (ebrary, viewed on June 25, 2014).
650		0	_aPharmaceutical chemistry.
650	1	2	_aChemistry, Pharmaceutical _xmethods.
650	1	2	_aDrug Design.
650	2	2	_aPharmaceutical Preparations _xchemistry.
650	2	2	_aDrug Evaluation, Preclinical _xmethods.
650	2	2	_aDatabases, Factual.
650		7	_aMEDICAL _xPharmacology. _2bisacsh
650		7	_aPharmaceutical chemistry. _2fast _0(OCoLC)fst01060115
655		4	_aElectronic books.
655		0	_aElectronic books.
700	1		_aBrown, Nathan _c(Medicinal chemist)
776	0	8	_iPrint version: _z9781306091008 _z9783527333646
830		0	_aMethods and principles in medicinal chemistry ; _vv. 58.
856	4	0	_uhttp://dx.doi.org/10.1002/9783527665143 _zWiley Online Library
994			_a92 _bDG1
999			_c20936 _d20895