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Advanced methods and applications in chemoinformatics : research progress and new applications

Author: E A Castro; A K Haghi
Publisher: Hershey, PA : Engineering Science Reference, ©2012.
Edition/Format:   Print book : EnglishView all editions and formats
Database:WorldCat
Summary:
"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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Document Type: Book
All Authors / Contributors: E A Castro; A K Haghi
ISBN: 9781609608606 1609608607 9781609608613 1609608615 9781609608620 1609608623
OCLC Number: 741273682
Description: xvii, 494 pages : illustrations ; 30 cm
Contents: Modeling ecotoxicity as applied to some selected aromatic compunds : a conceptual DFT based quantitative-structure-toxicity-relationship (QSTR) analysis / Santanab Giri, Arindam Chakraborty, Ashutosh Gupta [and others] --
Structural classification of complex molecules by artificial intelligence techniques / Francisco Torrens, Gloria Castellano --
Nanoparticles : towards predicting their toxicity and physico-chemical properties / Bakhtiyor Rasulev, Danuta Leszczynska, Jerzy Leszczynski --
Active learning and mapping : a survey and conception of a new stochastic methodology for high throughput materials discovery / Laurent A. Baumes --
Molecular similarity : combining neural networks and Knn methods / Abdelmalek Amine, Zakaria Elberrichi, Michel Simonet [and others] --
A QSAR/QSPR study with graph-theoretical indices based on a new type of vertex degree / Lionello Pogliani --
Logistic vs. w-Lambert informaton in modeling enzyme kinetics at quantum level / Mihai V. Putz, Ana-Maria Putz --
Advances in relevant descriptor selection / Željko Debeljak, Marica Medić-Šarić --
Analytical solution of cubic autocatalytic reaction-diffusion equations : homotopy pertuburation approach / D. Shanthi, L. Rajendran --
On applications of macromolecular QSAR theory / Pablo R. Duchowicz, Eduardo A. Castro --
Virtual screening : an emergent, key methodology for drug development in an emergent continent --
a bridge towards patentability / Alan Talevi, Eduardo A. Castro, Luis E. Bruno-Blanch --
Synthesis, properties, and applications of special substrates coated by titanium dioxide nanostructured thin films via sol-gel process / Hamid Dadvar, Farhad E. Ghodsi, Saeed Dadvar --
Electrostatic potential at nuclei : an accurate reactivity descriptor for organic compounds / Sonia Ilieva, Boris Galabov --
An epistemological analysis of QSPR/QSAR models / Jordi Vallverdú --
Computational techniques in binding affinity prediction of drugs / Kshatresh Dutta Dubey, Rajendra Prasad Ojha --
Symbolic equation for the instantaneous amount of substance in linear compartmental systems : software furnishing the coefficients involved in it / J.M. Villalba, R. Váron, E. Arribas [and others] --
Extended topochemical atom (ETA) indices for QSPR studies / Kunal Roy, Rudra Narayan Das.
Responsibility: Eduardo A. Castro and A.K. Haghi, editors.

Abstract:

"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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