000			04030nam a22004815i 4500
001			u370716
003			SIRSI
005			20160812080048.0
007			cr nn 008mamaa
008			100301s2010 ne | s |||| 0|eng d
020			_a9781402097836 _9978-1-4020-9783-6
040			_cMX-MeUAM
050		4	_aQD450-801
082	0	4	_a541.2 _223
100	1		_aPuzyn, Tomasz. _eeditor.
245	1	0	_aRecent Advances in QSAR Studies _h[recurso electrónico] : _bMethods and Applications / _cedited by Tomasz Puzyn, Jerzy Leszczynski, Mark T. Cronin.
264		1	_aDordrecht : _bSpringer Netherlands, _c2010.
300			_aXIII, 414p. 110 illus., 55 illus. in color. _bonline resource.
336			_atext _btxt _2rdacontent
337			_acomputer _bc _2rdamedia
338			_aonline resource _bcr _2rdacarrier
347			_atext file _bPDF _2rda
490	1		_aChallenges and Advances in Computational Chemistry and Physics ; _v8
505	0		_aTheory of QSAR -- Quantitative Structure–Activity Relationships (QSARs) – Applications and Methodology -- The Use of Quantum Mechanics Derived Descriptors in Computational Toxicology -- Molecular Descriptors -- 3D-QSAR – Applications, Recent Advances, and Limitations -- Virtual Screening and Molecular Design Based on Hierarchical Qsar Technology -- Robust Methods in Qsar -- Chemical Category Formation and Read-Across for the Prediction of Toxicity -- Practical Application -- QSAR in Chromatography: Quantitative Structure–Retention Relationships (QSRRs) -- The Use of Qsar and Computational Methods in Drug Design -- In Silico Approaches for Predicting Adme Properties -- Prediction of Harmful Human Health Effects of Chemicals from Structure -- Chemometric Methods and Theoretical Molecular Descriptors in Predictive QSAR Modeling of the Environmental Behavior of Organic Pollutants -- The Role of Qsar Methodology in the Regulatory Assessment of Chemicals -- Nanomaterials – the Next Great Challenge for Qsar Modelers.
520			_aRecent Advances in QSAR Studies: Methods and Applications presents an interdisciplinary overview on the most recent advances in QSAR studies. The first part of this volume is handbook-esque and consists of a comprehensive review of QSAR methodology written by outstanding scientists and highly experienced lecturers. It focuses on methodology and new ideas, providing readers with an idea of recent trends and developments in each part of QSAR strategy (descriptors, methods of modelling, validation). The second part of this volume highlights the interdisciplinary aspects and new areas of QSAR modelling. It outlines the theoretical framework together with practical applications. The most optimal solutions (descriptors, mathematical/statistical methods, validation) in the individual areas of interest (environmental risk assessment, drug design, etc.) are also discussed in more detail. Recent Advances in QSAR Studies: Methods and Applications is targeted at scientists who are focussed on developing new methodologies as well as researchers who are engaged in trying to solve specific problems via QSAR. Additionally, this volume should serve as an essential reference to promote interactions between members of the academic community and industry.
650		0	_aChemistry.
650		0	_aBiochemistry.
650		0	_aSurfaces (Physics).
650	1	4	_aChemistry.
650	2	4	_aTheoretical and Computational Chemistry.
650	2	4	_aMedicinal Chemistry.
650	2	4	_aCharacterization and Evaluation of Materials.
700	1		_aLeszczynski, Jerzy. _eeditor.
700	1		_aCronin, Mark T. _eeditor.
710	2		_aSpringerLink (Online service)
773	0		_tSpringer eBooks
776	0	8	_iPrinted edition: _z9781402097829
830		0	_aChallenges and Advances in Computational Chemistry and Physics ; _v8
856	4	0	_zLibro electrónico _uhttp://148.231.10.114:2048/login?url=http://link.springer.com/book/10.1007/978-1-4020-9783-6
596			_a19
942			_cLIBRO_ELEC
999			_c198596 _d198596