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E-mail Message: I thought you might be interested in this item at http://www.worldcat.org/oclc/226357322 Title: Handbook of chemoinformatics algorithms Author: Jean-Loup Faulon; Andreas Bender Publisher: Boca Raton, FL : Chapman & Hall/CRC, ©2010. ISBN/ISSN: 9781420082920 1420082922 OCLC:226357322

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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
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.

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Genre/Form:	Handbooks, manuals, etc
Material Type:	Internet resource
Document Type:	Book, Internet Resource
All Authors / Contributors:	Jean-Loup Faulon; Andreas Bender Find more information about:
ISBN:	9781420082920 1420082922
OCLC Number:	226357322
Description:	xii, 440 p. : ill. ; 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 ... [et al.].
Series Title:	Chapman and Hall/CRC mathematical & computational biology series.
Responsibility:	edited by Jean-Loup Faulon, Andreas Bender.
More information:	Publisher Website

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