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001			233058
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007			cr nn 008mamaa
008			100917s2011 xxu| s |||| 0|eng d
020			_a9781607618393
024	7		_a10.1007/978-1-60761-839-3 _2doi
040			_aES-MaUEC _bspa _cES-MaUEC
245	1	0	_aChemoinformatics and Computational Chemical Biology _cedited by Jürgen Bajorath.
250			_a1st edition 2011
264		1	_aTotowa, NJ _bHumana Press _c2011
300			_a1 recurso en línea (X, 588 páginas) _b150 ilustraciones, 13 ilustraciones a color
336			_atexto _btxt _2rdacontent
337			_aelectrónico _bc _2rdamedia
338			_arecurso electrónico _bcr _2rdacarrier
347			_aarchivo de texto _bPDF
490	0		_aMethods in Molecular Biology _x1940-6029 _v672
505	0		_aSome Trends in Chem(o)informatics -- Molecular Similarity Measures -- The Ups and Downs of Structure-Activity Landscapes -- Computational Analysis of Activity and Selectivity Cliffs -- Similarity Searching Using 2D Structural Fingerprints -- Predicting the Performance of Fingerprint Similarity Searching -- Bayesian Methods in Virtual Screening and Chemical Biology -- Reduced Graphs and Their Applications in Chemoinformatics -- Fragment Descriptors in Structure-Property Modeling and Virtual Screening -- The Scaffold Tree: An Efficient Navigation in the Scaffold Universe -- Pharmacophore-Based Virtual Screening -- De novo Drug Design -- Classification of Chemical Reactions and Chemoinformatics Approaches to Enzymatic Transformations -- Informatics Approach to the Rational Design of siRNA Libraries -- Beyond Rhodopsin: G Protein-Coupled Receptor Structure and Modeling Incorporating the β2-adrenergic and Adenosine A2A Crystal Structures -- Methods for Combinatorial and Parallel Library Design -- The Interweaving of Cheminformatics and HTS -- Computational Systems Chemical Biology -- Ligand-Based Approaches to In Silico Pharmacology -- Molecular Test Systems for Computational Selectivity Studies and Systematic Analysis of Compound Selectivity Profiles -- Application of Support Vector Machine-Based Ranking Strategies to Search for Target-Selective Compounds -- What Do We Know?: Simple Statistical Techniques that Help.
520			_aOver the past years, the chem(o)informatics field has further evolved and new application areas have opened up, for example, in the broadly defined area of chemical biology. In Chemoinformatics and Computational Chemical Biology, leading investigators bring together a detailed series of reviews and methods including, among others, system-directed approaches using small molecules, the design of target-focused compound libraries, the study of molecular selectivity, and the systematic analysis of target-ligand interactions. Furthermore, the book delves into similarity methods, machine learning, probabilistic approaches, fragment-based methods, as well as topics that go beyond the current chemoinformatics spectrum, such as knowledge-based modeling of G protein-coupled receptor structures and computational design of siRNA libraries. As a volume in the highly successful Methods in Molecular Biology™ series, this collection provides detailed descriptions and implementation advice that are exceedingly relevant for basic researchers and practitioners in this highly interdisciplinary research and development area. Cutting-edge and unambiguous, Chemoinformatics and Computational Chemical Biology serves as an ideal guide for experts and newcomers alike to this vital and dynamic field of study.
700	1		_aBajorath, Jürgen _eeditor literario _4edt _4http://id.loc.gov/vocabulary/relators/edt
776	0	8	_iPrinted edition: _z9781607618386
776	0	8	_iPrinted edition: _z9781607618409
776	0	8	_iPrinted edition: _z9781493957934
856	4	0	_uhttps://go.openathens.net/redirector/universidadeuropea.es?url=https://doi.org/10.1007/978-1-60761-839-3 _z(usuarios Universidad Europea de Valencia)
942			_2lcc _cLE
988			_aSpringer_Protocols_2011
999			_c233058 _d233058