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Home > Chemoinformatics and Computational Chemical Biology > Similarity Searching Using 2D Structural Fingerprints
Chemoinformatics and Computational Chemical Biology |
Jürgen Bajorath
Humana Press
Chemoinformatics and Computational Chemical Biology
Similarity Searching Using 2D Structural Fingerprints
Authors

Peter Willett

ARI Id

1664917266639_4063415

Access

Not Available Free

Pages

133-158

DOI

10.1007/978-1-60761-839-3_5

Chapter URL

https://rd.springer.com/protocol/10.1007/978-1-60761-839-3_5

Table of Contents of Book
Showing 1 to 20 of 24 entries
Chapters/HeadingsAuthor(s)PagesInfo
Front Matter
i-x
Some Trends in Chem(o)informatics
Wendy A. Warr
1-37
Molecular Similarity Measures
Gerald M. Maggiora; Veerabahu Shanmugasundaram
39-100
The Ups and Downs of Structure–Activity Landscapes
Rajarshi Guha
101-117
Computational Analysis of Activity and Selectivity Cliffs
Lisa Peltason; Jürgen Bajorath
119-132
Similarity Searching Using 2D Structural Fingerprints
Peter Willett
133-158
Predicting the Performance of Fingerprint Similarity Searching
Martin Vogt; Jürgen Bajorath
159-173
Bayesian Methods in Virtual Screening and Chemical Biology
Andreas Bender
175-196
Reduced Graphs and Their Applications in Chemoinformatics
Kristian Birchall; Valerie J. Gillet
197-212
Fragment Descriptors in Structure–Property Modeling and Virtual Screening
Alexandre Varnek
213-243
The Scaffold Tree: An Efficient Navigation in the Scaffold Universe
Peter Ertl; Ansgar Schuffenhauer; Steffen Renner
245-260
Pharmacophore-Based Virtual Screening
Dragos Horvath
261-298
De Novo Drug Design
Markus Hartenfeller; Gisbert Schneider
299-323
Classification of Chemical Reactions and Chemoinformatic Processing of Enzymatic Transformations
Diogo A. R. S. Latino; João Aires-de-Sousa
325-340
Informatics Approach to the Rational Design of siRNA Libraries
Jerry O. Ebalunode; Charles Jagun; Weifan Zheng
341-358
Beyond Rhodopsin: G Protein-Coupled Receptor Structure and Modeling Incorporating the β2-adrenergic and Adenosine A2A Crystal Structures
Andrew J. Tebben; Dora M. Schnur
359-386
Methods for Combinatorial and Parallel Library Design
Dora M. Schnur; Brett R. Beno; Andrew J. Tebben; Cullen Cavallaro
387-434
The Interweaving of Cheminformatics and HTS
Anne Kümmel; Christian N. Parker
435-457
Computational Systems Chemical Biology
Tudor I. Oprea; Elebeoba E. May; Andrei Leitão; Alexander Tropsha
459-488
Ligand-Based Approaches to In Silico Pharmacology
David Vidal; Ricard Garcia-Serna; Jordi Mestres
489-502
Chapters/HeadingsAuthor(s)PagesInfo
Showing 1 to 20 of 24 entries
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