Molecular Structure Description: The Electrotopological State - Couverture rigide

Kier, Lemont B.; Hall, Lowell H.

Couverture rigide

ISBN 10 : 0124065554 ISBN 13 : 9780124065550

Editeur : Academic Press Inc, 1999

Synopsis

The entire thrust of industrial drug research is now directed toward the use of predictive methods and strategies to reduce the number of compounds made and tested. Furthermore, these theoretical/computational methods are increasingly part of a general approach to chemical problems. Among non-empirical structure indices, the electrotopological state of atoms in a molecule is a new paradigm, providing a descriptor of intermolecular interactions at submolecular sights that is easy to calculate and information-rich. One of the authors (Hall) has included the E-state in his widely used MOLCONN computer program. Tripos has incorporated this index as an optional module for structure-activity analyses using a new Web-based tool called CHEMenlighten.

A propos du livre

À propos des auteurs

Lemont B. Kier has been honored as a Fellow of the Academy of Pharmaceutical Sciences, a Fellow of the American Association of Pharmaceutical Sciences, and as Chair of Honor at the University of Lausanne, Switzerland. He has published over 200 articles in 50 scientific journals, in addition to authoring or co-authoring five books. He received Ph.D. in Medicinal Chemistry from the University of Minnesota. He is currently a professor of Medicinal Chemistry at the Virginia Commonwealth University in Richmond, Virginia.

Lowell H. Hall received the Teacher of the Year Award from Eastern Nazarene College in Quincy, Massachusetts, and the Distinguishing Teaching Assistant Award at The Johns Hopkins University from the Lindback Foundation. He has written 90 articles in 25 scientific journals, as well as five book chapters and authored or co-authored four books. He received his MS and Ph.D. in Physical Chemistry from The Johns Hopkins University. He is currently a professor of Chemistry at Eastern Nazarene College.

Détails de l'édition

• Éditeur: Academic Press Inc
• Date d'édition: 1999
• Langue: anglais
• ISBN 10: 0124065554
• ISBN 13: 9780124065550
• Reliure: Relié
• Nombre de pages: 286
• Coordonnées du fabricant: non disponible
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