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100301s2010 ne | s |||| 0|eng d |
| 020 |
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|a 9781402097836
|9 978-1-4020-9783-6
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|a 10.1007/978-1-4020-9783-6
|2 doi
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|a QD450-801
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|a PNRP
|2 bicssc
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|a SCI013050
|2 bisacsh
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|a 541.2
|2 23
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|a Puzyn, Tomasz.
|e editor.
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|a Recent Advances in QSAR Studies
|b Methods and Applications /
|c edited by Tomasz Puzyn, Jerzy Leszczynski, Mark T. Cronin.
|h [electronic resource] :
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| 264 |
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1 |
|a Dordrecht :
|b Springer Netherlands,
|c 2010.
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| 300 |
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|a XIII, 414p. 110 illus., 55 illus. in color.
|b online resource.
|
| 336 |
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|a text
|b txt
|2 rdacontent
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| 337 |
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|a computer
|b c
|2 rdamedia
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| 338 |
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|a online resource
|b cr
|2 rdacarrier
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| 347 |
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|a text file
|b PDF
|2 rda
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| 490 |
1 |
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|a Challenges and Advances in Computational Chemistry and Physics ;
|v 8
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| 505 |
0 |
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|a PART I: Theory: 1 Introduction to QSAR approach (M.T.D. Cronin) -- 2 QM calculations for QSAR (S. Enoch) -- 3 Molecular descriptors (R. Todeschini et al.) -- 4 ComFA (W. Sippl) -- 5 Simplex representation of molecular structure (SiRMS-QSAR) (V. Kuz'min et al.) -- 6 Chemometric methods of modeling (J. Mazerski) -- 7 Dealing with outliers - robust methods (M. Daszykowski et al.) -- 8 Read-accross (S. Enoch) -- PART II: Practical Applications: 9 QSAR in chromatography (QSRR) (R. Kaliszan, T. Baczek) -- 10 QSAR in drug design (F. Bajot) -- 11 ADMET (J. Madden) -- 12 Predicting human health effects of new chemicals (M.T.D. Cronin) -- 13 QSAR modeling of environmental behavior of organic pollutants (P. Gramatica) -- 14 Role of QSAR in REACH (A. Worth) -- 15 NanoQSAR (Puzyn et al.).
|
| 520 |
# |
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|a Recent 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.
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| 650 |
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|a Chemistry.
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| 650 |
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|a Biochemistry.
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|a Surfaces (Physics).
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1 |
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|a Chemistry.
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| 650 |
2 |
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|a Theoretical and Computational Chemistry.
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| 650 |
2 |
4 |
|a Medicinal Chemistry.
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| 650 |
2 |
4 |
|a Characterization and Evaluation of Materials.
|
| 700 |
1 |
# |
|a Leszczynski, Jerzy.
|e editor.
|
| 700 |
1 |
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|a Cronin, Mark T.
|e editor.
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| 710 |
2 |
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|a SpringerLink (Online service)
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| 773 |
0 |
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|t Springer eBooks
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| 776 |
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8 |
|i Printed edition:
|z 9781402097829
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| 830 |
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|a Challenges and Advances in Computational Chemistry and Physics ;
|v 8
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| 856 |
4 |
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|u https://ezaccess.library.uitm.edu.my/login?url=http://dx.doi.org/10.1007/978-1-4020-9783-6
|
| 912 |
# |
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|a ZDB-2-CMS
|
| 950 |
# |
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|a Chemistry and Materials Science (Springer-11644)
|