skip to content
Advanced methods and applications in chemoinformatics : research progress and new applications Preview this item
ClosePreview this item
Checking...

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.
Rating:

(not yet rated) 0 with reviews - Be the first.

Subjects
More like this

 

Find a copy in the library

&AllPage.SpinnerRetrieving; Finding libraries that hold this item...

Details

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.

Reviews

User-contributed reviews
Retrieving GoodReads reviews...
Retrieving DOGObooks reviews...

Tags

All user tags (1)

View most popular tags as: tag list | tag cloud

Similar Items

Related Subjects:(1)

Confirm this request

You may have already requested this item. Please select Ok if you would like to proceed with this request anyway.

Linked Data


Primary Entity

<http://www.worldcat.org/oclc/741273682> # Advanced methods and applications in chemoinformatics : research progress and new applications
    a schema:CreativeWork, schema:Book ;
   library:oclcnum "741273682" ;
   library:placeOfPublication <http://experiment.worldcat.org/entity/work/data/934898606#Place/hershey_pa> ; # Hershey, PA
   library:placeOfPublication <http://id.loc.gov/vocabulary/countries/pau> ;
   schema:about <http://id.worldcat.org/fast/853337> ; # Cheminformatics
   schema:about <http://dewey.info/class/542.85/e23/> ;
   schema:bookFormat bgn:PrintBook ;
   schema:contributor <http://viaf.org/viaf/39452377> ; # Eduardo Alberto Castro
   schema:contributor <http://experiment.worldcat.org/entity/work/data/934898606#Person/haghi_a_k> ; # A. K. Haghi
   schema:copyrightYear "2012" ;
   schema:datePublished "2012" ;
   schema:description "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."@en ;
   schema:description ""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."@en ;
   schema:exampleOfWork <http://worldcat.org/entity/work/id/934898606> ;
   schema:inLanguage "en" ;
   schema:name "Advanced methods and applications in chemoinformatics : research progress and new applications"@en ;
   schema:productID "741273682" ;
   schema:publication <http://www.worldcat.org/title/-/oclc/741273682#PublicationEvent/hershey_pa_engineering_science_reference_2012> ;
   schema:publisher <http://experiment.worldcat.org/entity/work/data/934898606#Agent/engineering_science_reference> ; # Engineering Science Reference
   schema:workExample <http://worldcat.org/isbn/9781609608620> ;
   schema:workExample <http://worldcat.org/isbn/9781609608606> ;
   schema:workExample <http://worldcat.org/isbn/9781609608613> ;
   wdrs:describedby <http://www.worldcat.org/title/-/oclc/741273682> ;
    .


Related Entities

<http://experiment.worldcat.org/entity/work/data/934898606#Agent/engineering_science_reference> # Engineering Science Reference
    a bgn:Agent ;
   schema:name "Engineering Science Reference" ;
    .

<http://experiment.worldcat.org/entity/work/data/934898606#Person/haghi_a_k> # A. K. Haghi
    a schema:Person ;
   schema:familyName "Haghi" ;
   schema:givenName "A. K." ;
   schema:name "A. K. Haghi" ;
    .

<http://id.worldcat.org/fast/853337> # Cheminformatics
    a schema:Intangible ;
   schema:name "Cheminformatics"@en ;
    .

<http://viaf.org/viaf/39452377> # Eduardo Alberto Castro
    a schema:Person ;
   schema:birthDate "1944" ;
   schema:familyName "Castro" ;
   schema:givenName "Eduardo Alberto" ;
   schema:givenName "E. A." ;
   schema:name "Eduardo Alberto Castro" ;
    .

<http://worldcat.org/isbn/9781609608606>
    a schema:ProductModel ;
   schema:isbn "1609608607" ;
   schema:isbn "9781609608606" ;
    .

<http://worldcat.org/isbn/9781609608613>
    a schema:ProductModel ;
   schema:isbn "1609608615" ;
   schema:isbn "9781609608613" ;
    .

<http://worldcat.org/isbn/9781609608620>
    a schema:ProductModel ;
   schema:isbn "1609608623" ;
   schema:isbn "9781609608620" ;
    .

<http://www.worldcat.org/title/-/oclc/741273682>
    a genont:InformationResource, genont:ContentTypeGenericResource ;
   schema:about <http://www.worldcat.org/oclc/741273682> ; # Advanced methods and applications in chemoinformatics : research progress and new applications
   schema:dateModified "2016-05-11" ;
   void:inDataset <http://purl.oclc.org/dataset/WorldCat> ;
    .


Content-negotiable representations

Close Window

Please sign in to WorldCat 

Don't have an account? You can easily create a free account.