An edition of Molecular structure description (1999)

Molecular Structure Description

The Electrotopological State

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Molecular Structure Description
Lemont B. Kier, Lowell H. Hall
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Last edited by ImportBot
November 18, 2022 | History
An edition of Molecular structure description (1999)

Molecular Structure Description

The Electrotopological State

  • 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
Language
English

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Edition Availability
Cover of: Molecular structure description
Molecular structure description: the electrotopological state
1999, Academic Press
in English
Cover of: Molecular Structure Description
Molecular Structure Description: The Electrotopological State
1999, Elsevier Science & Technology Books
in English

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Book Details


The Physical Object

Pagination
286

ID Numbers

Open Library
OL40440118M
ISBN 13
9780080573458

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Better World Books record

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November 18, 2022 Created by ImportBot Imported from Better World Books record