Molecular structure description
the electrotopological state
by Lemont B. Kier
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.
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| Edition | Availability |
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1
Molecular Structure Description: The Electrotopological State
1999, Elsevier Science & Technology Books
in English
0080573452 9780080573458
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2
Molecular structure description: the electrotopological state
1999, Academic Press
in English
0124065554 9780124065550
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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.
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