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

January 1, 1996

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.

Publication Year 1996
Title Quantum chemical parameters in QSAR: what do I use when?
Authors James P. Hickey
Publication Type Book Chapter
Publication Subtype Book Chapter
Index ID 81449
Record Source USGS Publications Warehouse
USGS Organization Great Lakes Science Center