An edition of Chemoinformatics and computational chemical biology
(2011)
Chemoinformatics and computational chemical biology
by Jürgen Bajorath
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Previews available in: English
| Edition | Availability |
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Chemoinformatics and computational chemical biology
2011, Humana Press
in English
1607618389 9781607618386
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Book Details
Table of Contents
Some trends in chem(o)informatics / Wendy A. Warr
Molecular similarity measures / Gerald M. Maggiora and Veerabahu Shanmugasundaram
The ups and downs of structure-activity landscapes / Rajarshi Guha
Computational analysis of activity and selectivity cliffs / Lisa Peltason and Jürgen Bajorath
Similarity searching using 2D structural fingerprints / Peter Willett
Predicting the performance of fingerprint similarity searching / Martin Vogt and Jürgen Bajorath
Bayesian methods in virtual screening and chemical biology / Andreas Bender
Reduced graphs and their applications in chemoinformatics / Kristian Birchall and Valerie J. Gillet
Fragment descriptors in structure-property modeling and virtual screening / Alexandre Varnek
The scaffold tree : an efficient navigation in the scaffold universe / Peter Ertl, Ansgar Schuffenhauer, and Steffen Renner
Pharmacophore-based virtual screening / Dragos Horvath
De novo drug design / Markus Hartenfeller and Gisbert Schneider
Classification of chemical reactions and chemoinformatics processing of enzymatic transformations / Diogo A.R.S. Latino and João Aires-de-Sousa
Informatics approach to the rational design of siRNA libraries / Jerry O. Ebalunode, Charles Jagun, and Weifan Zheng
Beyond rhodopsin : G protein-coupled receptor structure and modeling incorporating the [beta]2-adrenergic and adenosine A₂a crystal structures / Andrew J. Tebben and Dora M. Schnur
Methods for combinatorial and parallel library design / Dora M. Schnur, Brett R. Beno, Andrew J. Tebben, and Cullen Cavallaro
The interweaving of cheminformatics and HTS / Anne Kümmel and Christian N. Parker
Computational systems chemical biology / Tudor I. Oprea, Elebeoba E. May, Andrei Leitão, and Alexander Tropsha
Ligand-based approaches to in silico pharmacology / David Vidal, Ricard Garcia-Serna, and Jordi Mestres
Molecular test systems for cmputational selectivity studies and systematic analysis of compound selectivity profiles / Dagmar Stumpfe, Eugen Lounkine, and Jürgen Bajorath
Application of support vector machine-based ranking strategies to search for target-selective compounds / Anne Mai Wassermann, Hanna Geppert, and Jürgen Bajorath
What do we know? : simple statistical techniques that help / Anthony Nicholls.
Edition Notes
Includes bibliographical references and index.
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- Created December 28, 2011
- 9 revisions
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| January 3, 2023 | Edited by MARC Bot | import existing book |
| December 24, 2022 | Edited by MARC Bot | import existing book |
| February 26, 2022 | Edited by ImportBot | import existing book |
| September 25, 2020 | Edited by MARC Bot | import existing book |
| December 28, 2011 | Created by LC Bot | Imported from Library of Congress MARC record |