عنوان

Handbook of chemoinformatics algorithms /

شابک

1420082922

شابک

9781420082920

شماره

dltt

عنوان اصلي

Handbook of chemoinformatics algorithms /

نام عام مواد

[Book]

نام نخستين پديدآور

edited by Jean-Loup Faulon, Andreas Bender

نام خاص و کميت اثر

xii, 440 pages :

ساير جزييات

illustrations,

ابعاد

25 cm

عنوان فروست

Chapman & Hall/CRC mathematical and computational biology series

متن يادداشت

Includes bibliographical references and index

متن يادداشت

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]

بدون عنوان

0

موضوع مستند نشده

Algorithms

موضوع مستند نشده

Cheminformatics, Handbooks, manuals, etc

موضوع مستند نشده

Graph theory

شماره

ويراست

شماره رده

نشانه اثر

مستند نام اشخاص تاييد نشده

Bender, Andreas,1976-

مستند نام اشخاص تاييد نشده

Faulon, Jean-Loup

تاريخ عمليات

20120117122912.0

قواعد فهرست نويسي ( بخش توصيفي )

rda

نام الکترونيکي

نوع ماده

[Book]

تكميل شده

Y