Linear solvation energy relationships: "rule of thumb" for estimation of variable values
Environmental Science & Technology
Abstract has subscript/superscript to be fixed
By: James P. Hickey and Dora R. Passino-Reader
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Abstract
For the linear solvation energy relationship (LSER), values are listed for each of the variables (Vi/100, π*, &betam, αm) for fundamental organic structures and functional groups. We give the guidelines to estimate LSER variable values quickly for a vast array of possible organic compounds such as those found in the environment. The difficulty in generating these variables has greatly discouraged the application of this quantitative structure-activity relationship (QSAR) method. This paper present the first compilation of molecular functional group values together with a utilitarian set of the LSER variable estimation rules. The availability of these variable values and rules should facilitate widespread application of LSER for hazard evaluation of environmental contaminants.
Suggested Citation
Hickey, J.P., and Passino-Reader, D.R., 1991, Linear solvation energy relationships: "rule of thumb" for estimation of variable values: Environmental Science & Technology, v. 25, no. 10, p. 1753-1760, https://doi.org/10.1021/es00022a012.
ISSN: 1520-5851 (online)
| Publication type | Article |
|---|---|
| Publication Subtype | Journal Article |
| Title | Linear solvation energy relationships: "rule of thumb" for estimation of variable values |
| Series title | Environmental Science & Technology |
| DOI | 10.1021/es00022a012 |
| Volume | 25 |
| Issue | 10 |
| Publication Date | May 01, 2002 |
| Year Published | 1991 |
| Language | English |
| Publisher | ACS Publications |
| Publisher location | Washington, D.C. |
| Contributing office(s) | Great Lakes Science Center |
| Description | 8 p. |
| Larger Work Type | Article |
| Larger Work Subtype | Journal Article |
| Larger Work Title | Environmental Science and Technology |
| First page | 1753 |
| Last page | 1760 |