Accession Number:

ADA265026

Title:

Environmental Containment Property Estimation Using QSARs in an Expert System

Descriptive Note:

Final rept. 15 Aug 1991-15 Aug 1992

Corporate Author:

UTAH WATER RESEARCH LAB LOGAN

Report Date:

1993-01-15

Pagination or Media Count:

120.0

Abstract:

The primary goal of this project was to develop a microcomputer-based decision support system utilizing Quantitative Structure Property Relationships QSPRs and Quantitative Property Relationships QPPRs to predict the physicalchemical properties of an organic chemical which are necessary to model its environmental fate. The following specific properties were investigated aqueous solubility S, octanolwater partition coefficient Kow, vapor pressure Pv, organic carbon normalized soilwater partition coefficient Koc, Henrys Law constant H, and bioconcentration factor BCF.

Subject Categories:

  • Organic Chemistry
  • Operations Research
  • Computer Systems

Distribution Statement:

APPROVED FOR PUBLIC RELEASE