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04895nam a2200601 a 4500 |
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20110926173904.0 |
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m e d |
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cr bn||||m|||a |
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110923s2011 paua fsb 000 0 eng d |
| 010 |
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|z 2011028266
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| 020 |
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|a 9781609608613 (ebook)
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|z 9781609608606 (hardcover)
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|z 9781609608620 (print & perpetual access)
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| 024 |
7 |
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|a 10.4018/978-1-60960-860-6
|2 doi
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| 035 |
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|a (CaBNVSL)gtp00549546
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| 035 |
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|a (OCoLC)807846788
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| 040 |
# |
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|a CaBNVSL
|c CaBNVSL
|d CaBNVSL
|
| 050 |
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4 |
|a QD39.3.E46
|b .A38 2011e
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| 082 |
0 |
4 |
|a 542/.85
|2 23
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| 245 |
0 |
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|a Advanced methods and applications in chemoinformatics
|b research progress and new applications /
|c Eduardo A. Castro and A.K. Haghi, editors.
|h [electronic resource] :
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| 260 |
# |
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|a Hershey, Pa. :
|b IGI Global (701 E. Chocolate Avenue, Hershey, Pennsylvania, 17033, USA),
|c 2011.
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| 300 |
# |
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|a electronic texts (411 p.) :
|b ill., digital files.
|
| 504 |
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|a Includes bibliographical references.
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| 505 |
0 |
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|a 1. Modeling ecotoxicity as applied to some selected aromatic compounds: a conceptual DFT based quantitative-structure-toxicity-relationship (QSTR) analysis / Santanab Giri ... [et al.] -- 2. Structural classification of complex molecules by artificial intelligence techniques / Francisco Torrens and Gloria Castellano -- 3. Nanoparticles: towards predicting their toxicity and physico-chemical properties / Bakhtiyor Rasulev, Danuta Leszczynska and Jerzy Leszczynski -- 4. Active learning and mapping: a survey and conception of a new stochastic methodology for high throughput materials discovery / Laurent A. Baumes -- 5. Molecular similarity: combining neural networks and Knn methods / Abdelmalek Amine, Zakaria Elberrichi, Michel Simonet and Ali Rahmouni -- 6. A QSAR/QSPR study with graph-theoretical indices based on a new type of vertex degree / Lionello Pogliani -- 7. Logistic vs. W-Lambert information in modeling enzyme kinetics at quantum level / Mihai V. Putz and Ana-Maria Putz -- 8. Advances in relevant descriptor selection / Željko Debeljak and Marica Medic-Šaric -- 9. Analytical solution of cubic autocatalytic reaction-diffusion equations: homotopy pertuburation approach / D. Shanthi and L. Rajendran -- 10. On applications of macromolecular QSAR theory / Pablo R. Duchowicz and Eduardo A. Castro -- 11. Virtual screening: an emergent, key methodology for drug development in an emergent continent. a bridge towards patentability / Alan Talevi, Eduardo A. Castro and Luis E. Bruno-Blanch --
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| 505 |
8 |
# |
|a 12. Synthesis, properties, and applications of special substrates coated by titanium dioxide nanostructured thin films via Sol-Gel process / Hamid Dadvar, Farhad E. Ghodsi and Saeed Dadvar -- 13. Electrostatic potential at nuclei: an accurate reactivity descriptor for organic compounds / Sonia Ilieva and Boris Galabov -- 14. An epistemological analysis of QSPR/QSAR models / Jordi Vallverdú -- 15. Computational techniques in binding affinity prediction of drugs / Kshatresh Dutta Dubey and Rajendra Prasad Ojha -- 16. Symbolic equation for the instantaneous amount of substance in linear compartmental systems: software furnishing the coefficients involved in it / J.M. Villalba ... [et al.] -- 17. On Extended Topochemical Atom (ETA) indices for QSPR studies / Kunal Roy and Rudra Narayan Das.
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| 506 |
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|a Restricted to subscribers or individual electronic text purchasers.
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| 520 |
3 |
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|a "This book provides innovative coverage on the growth of educational, scientific, and industrial research activities among chemists and chemical engineers and provides a medium for mutual communication between international academia and the industry"--Provided by publisher.
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| 530 |
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|a Also available in print.
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| 538 |
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|a Mode of access: World Wide Web.
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| 588 |
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|a Description based on title screen (IGI Global, viewed September 23, 2011).
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| 650 |
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|a Cheminformatics.
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| 653 |
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|a Classification of complex molecules
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| 653 |
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|a Artificial intelligence techniques
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| 653 |
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|a CORAL: QSPR/QSAR
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| 653 |
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|a Organometallic substances
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| 653 |
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|a Nanotechnology
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| 653 |
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|a Genetic algorithm optimization
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| 653 |
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|a Modelling enzyme kinetics
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| 653 |
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|a Molecular connectivity indices
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| 653 |
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|a Molecular electronic structures
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| 653 |
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|a QSAR inhibitors of HIV
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| 653 |
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|a Similarity measures
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| 653 |
# |
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|a Chemoinformatics
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| 653 |
# |
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|a Drug design
|
| 700 |
1 |
# |
|a Castro, E. A.
|d 1944-
|q (Eduardo Alberto),
|
| 700 |
1 |
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|a Haghi, A. K.
|
| 710 |
2 |
# |
|a IGI Global.
|
| 776 |
0 |
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|c (Original)
|w (DLC)2011028266
|
| 776 |
0 |
8 |
|i Print version:
|w (DLC) 2011028266
|z 9781609608606
|z 1609608607
|
| 856 |
4 |
1 |
|u https://ezaccess.library.uitm.edu.my/login?url=http://services.igi-global.com/resolvedoi/resolve.aspx?doi=10.4018/978-1-60960-860-6
|3 Chapter PDFs via platform:
|