An edition of Molecular structure description (1999)

Molecular structure description

the electrotopological state

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Cover of: Molecular structure description by Lemont B. Kier
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Last edited by MARC Bot
July 15, 2024 | History
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An edition of Molecular structure description (1999)

Molecular structure description

the electrotopological state

by

  • 0 Ratings
  • 0 Want to read
  • 0 Currently reading
  • 0 Have read

The electrotopological state is a new approach to defining key structural features of a molecule in drug design. Combining both electronic and topological attributes, the E-State index facilitates the development of a structure - activity model, the definition of a pharmacophore, and the search through a database for similar or dissimilar compounds.

The background for the method, the concept of the intrinsic state, and the E-State index as a function of the atom or group within the field of all atoms in a molecule are all described in this primer for a new structure paradigm. Software on the bundled CD-ROM allows the reader to compute and display the E-State indices for molecules, while examples in the book illustrate strategies that can be used in drug research.

Publish Date
Publisher
Academic Press
Language
English
Pages
245

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Subjects
Drugs, Design, Structure-activity relationships, Molecular structure, Pharmaceutical chemistry, Toxicology, Data processing, Mathematical models

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Edition Availability
Cover of: Molecular Structure Description
Molecular Structure Description: The Electrotopological State
1999, Elsevier Science & Technology Books
in English
Libraries near you: WorldCat
Cover of: Molecular structure description
Molecular structure description: the electrotopological state
1999, Academic Press
in English
  • Not in Library
Libraries near you: WorldCat

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Book Details

Edition Notes

Includes bibliographical references and index.
System requirements: Microsoft Windows 95, Windows NT version 4.0 or higher, Microsoft Windows 98; at least 16 MB RAM.

Published in
San Diego

Classifications

Dewey Decimal Class
615/.19
Library of Congress
RM301.42 .K53 1999, RM301.42.K53 1999

The Physical Object

Pagination
xx, 245, 41 p. :
Number of pages
245

ID Numbers

Open Library
OL399289M
ISBN 10
0124065554
LCCN
98089313
OCLC/WorldCat
40883022
Goodreads
1553478

Source records

Better World Books record
Library of Congress MARC record
marc_columbia MARC record

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Download catalog record: RDF / JSON / OPDS | Wikipedia citation
July 15, 2024 Edited by MARC Bot import existing book
November 28, 2020 Edited by MARC Bot import existing book
October 10, 2020 Edited by ImportBot import existing book
August 4, 2020 Edited by ImportBot import existing book
April 1, 2008 Created by an anonymous user Imported from Scriblio MARC record