skip to content
Handbook of chemoinformatics algorithms Preview this item
ClosePreview this item
Checking...

Handbook of chemoinformatics algorithms

Author: Jean-Loup Faulon; Andreas Bender
Publisher: Boca Raton, FL : Chapman & Hall/CRC, ©2010.
Series: Chapman and Hall/CRC mathematical & computational biology series.
Edition/Format:   Book : EnglishView all editions and formats
Database:WorldCat
Summary:

Describing the characteristics and limitations of key algorithms, this book covers various aspects of chemoinformatics, including structure representation, molecular descriptors, similarity search,  Read more...

Rating:

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

Subjects
More like this

 

Find a copy online

Links to this item

Find a copy in the library

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

Details

Genre/Form: Handbooks, manuals, etc
Programmsammlung
Material Type: Internet resource
Document Type: Book, Internet Resource
All Authors / Contributors: Jean-Loup Faulon; Andreas Bender
ISBN: 9781420082920 1420082922
OCLC Number: 226357322
Description: xii, 440 pages : illustrations ; 25 cm.
Contents: Representing two-dimensional (2D) chemical structures with molecular graphs / Ovidiu Ivanciuc --
Algorithms to store and retrieve two-dimensional (2D) chemical structures / Milind Misra and Jean-Loup Faulon --
Three dimensional (3D) molecular representations / Egon L. Willighagen --
Molecular descriptors / Nikolas Fechner, Georg Hinselmann, and Jörg Kurt Wegner --
Ligand- and structure-based virtual screening / Robert D. Clark and Diana C. Roe --
Predictive quantitative structure--activity relationships modeling: data preparation and the general modeling workflow / Alexander Tropsha and Alexander Golbraikh --
Predictive quantitative structure--activity relationships modeling: development and validation of QSAR models / Alexander Tropsha and Alexander Golbraikh --
Structure enumeration and sampling / Markus Meringer --
Computer-aided molecular design: inverse design / Donald P. Visco, Jr. --
Computer-aided molecular design: de novo design / Diana C. Roe --
Reaction network generation / Jean-Loup Faulon and Pablo Carbonell --
Open source chemoinformatics software and database technologies / Rajarshi Guha --
Sequence alignment algorithms: applications to glycans and trees and tree-like structures / Tatsuya Akutsu --
Machine learning-based bioinformatics algorithms: application to chemicals / Shawn Martin --
Using systems biology techniques to determine metabolic fluxes and metabolite pool sizes / Fangping Mu [and others].
Series Title: Chapman and Hall/CRC mathematical & computational biology series.
Responsibility: edited by Jean-Loup Faulon, Andreas Bender.
More information:

Reviews

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

Tags

All user tags (1)

View most popular tags as: tag list | tag cloud

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


<http://www.worldcat.org/oclc/226357322>
library:oclcnum"226357322"
library:placeOfPublication
library:placeOfPublication
rdf:typeschema:Book
rdf:typeschema:MediaObject
schema:about
schema:about
schema:about
schema:about
schema:about
schema:about
schema:about
schema:contributor
schema:contributor
schema:copyrightYear"2010"
schema:datePublished"2010"
schema:description"Representing two-dimensional (2D) chemical structures with molecular graphs / Ovidiu Ivanciuc -- Algorithms to store and retrieve two-dimensional (2D) chemical structures / Milind Misra and Jean-Loup Faulon -- Three dimensional (3D) molecular representations / Egon L. Willighagen -- Molecular descriptors / Nikolas Fechner, Georg Hinselmann, and Jörg Kurt Wegner -- Ligand- and structure-based virtual screening / Robert D. Clark and Diana C. Roe -- Predictive quantitative structure--activity relationships modeling: data preparation and the general modeling workflow / Alexander Tropsha and Alexander Golbraikh -- Predictive quantitative structure--activity relationships modeling: development and validation of QSAR models / Alexander Tropsha and Alexander Golbraikh -- Structure enumeration and sampling / Markus Meringer -- Computer-aided molecular design: inverse design / Donald P. Visco, Jr. -- Computer-aided molecular design: de novo design / Diana C. Roe -- Reaction network generation / Jean-Loup Faulon and Pablo Carbonell -- Open source chemoinformatics software and database technologies / Rajarshi Guha -- Sequence alignment algorithms: applications to glycans and trees and tree-like structures / Tatsuya Akutsu -- Machine learning-based bioinformatics algorithms: application to chemicals / Shawn Martin -- Using systems biology techniques to determine metabolic fluxes and metabolite pool sizes / Fangping Mu [and others]."@en
schema:exampleOfWork<http://worldcat.org/entity/work/id/136196563>
schema:genre"Handbooks, manuals, etc."@en
schema:inLanguage"en"
schema:isPartOf
schema:name"Handbook of chemoinformatics algorithms"@en
schema:publication
schema:publisher
schema:workExample
umbel:isLike<http://bnb.data.bl.uk/id/resource/GBA9B1570>
wdrs:describedby

Content-negotiable representations

Close Window

Please sign in to WorldCat 

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