عنوان

Handbook of chemoinformatics algorithms

9781420082920 (hardcover : alk. paper)

IR

E-8382

انگلیسی

IR

Handbook of chemoinformatics algorithms

[Book]

/ edited by Jean-Loup Faulon, Andreas Bender

Boca Raton, FL

: Chapman & Hall/CRC,

, c2010.

xii, 440 p.

: ill.

; 25 cm.

(Chapman & Hall/CRC mathematical and computational biology series.)

Print - Electronic

Includes bibliographical references and index.

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 Jeorg 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.].

Chapman and Hall/CRC mathematical & computational biology series

Cheminformatics--Handbooks, manuals, etc

Algorithms.

Graph theory.

Faulon, Jean-Loup

Bender, Andreas، 1976

ایران

Handbook of chemoinformatics algorithms/

عادی

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E-8382.pdf

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ایمانی

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E-8382

انگلیسی

old catalog

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