Molecular Diversity in Drug Design

Molecular Diversity in Drug Design

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English

Description

Focusing on the theoretical problems associated with molecular diversity as it is being applied in the pharmaceutical industry, this book deals with algorithms that are involved in understanding chemical space and selection of diverse sets of structures. The algorithms also deal with the problem of focused diversity where chemical libraries are being created within a structured physical volume.

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Informations

Published by
Published 01 January 1999
Reads 6
EAN13 0306468735
License: All rights reserved
Language English

Legal information: rental price per page €. This information is given for information only in accordance with current legislation.

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Contents
Contributors
Acknowledgements
Preface
Issues in Molecular Diversity andtheRole of Ligand Binding Sites JAMESSMITH, PHILIPM. DEANANDRICHARDA. LEWIS
vii
xi
xiii
1
Molecular Diversity in Drug Design. Application to Highspeed Synthesis and High23Throughput Screening CHRISTOPHERG. NEWTON
Background Theory of Molecular Diversity VALERIEJ. GILLET
Absolute vs Relative Similarity and Diversity JONATHANS. MASON
Diversity in Very Large Libraries LUTZWEBERANDMICHAELALMSTETTER
SubsetSelection Methods For Chemical Databases P. WILLETT
v
43
67
93
115
vi
Molecular Diversity in Sitefocused Libraries DIANAC. ROE
Managing Combinatorial Chemistry Information KEITHDAVIESANDCATHERINEWHITE
Contents
141
175
Design of Small Libraries for Lead Exploration 197 PERM ANDERSON, ANNALINUSSON, SVANTEWOLD, MICHAEL SJÖSTRÖM, TORBJÖRNLUNDSTEDTANDBo NORDÉN
The Design of Smalland Mediumsized Focused Combinatorial Libraries RICHARDA. LEWIS 221
Index
249