Quantum chemical parameters in QSAR: what do I use when?

Edited by: Gary K. Ostrander


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This chapter provides a brief overview of the numerous quantum chemical parameters that have been/are currently being used in quantitative structure activity relationships (QSAR), along with a representative bibliography. The parameters will be grouped according to their mechanistic interpretations, and representative biological and physical chemical applications will be mentioned. Parmater computation methods and the appropriate software are highlighted, as are sources for software.

Additional publication details

Publication type Book chapter
Publication Subtype Book Chapter
Title Quantum chemical parameters in QSAR: what do I use when?
Year Published 1996
Language English
Publisher CRC Press
Publisher location Boca Raton, FL
Contributing office(s) Great Lakes Science Center
Description p. 405-433
Larger Work Type Book
Larger Work Subtype Other Government Series
Larger Work Title Techniques in aquatic toxicology
First page 405
Last page 433