Quantum chemical parameters in QSAR: what do I use when?
By: James P. Hickey
Edited by: Gary K. Ostrander
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Abstract
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 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 |