Environmental Containment Property Estimation Using QSARS In An Expert System.

Abstract

A microcomputer based Property Estimation Program (PEP), utilizing MCI-Property, TSA-property and property-property correlations and UNIFAC derived activity coefficients, was developed to provide both experts and non-experts with a fast, economical method to estimate a compound's S, Kow, Pv, Koc, H, and BCF for use in environmental fate modeling.

Document Details

Document Type
Technical Report
Publication Date
Jan 15, 1993
Accession Number
ADB172201

Entities

People

  • Doug Denne
  • Mark K. Holt
  • William J. Doucette

Tags

DTIC Thesaurus Topics

  • Application Software
  • Applied Computer Science
  • Artificial Intelligence
  • Artificial Intelligence Software
  • Coefficients
  • Computer Programs
  • Computers
  • Expert Systems
  • Personal Computers

Readers

  • Agricultural Chemistry/Soil Science
  • Computational Modeling and Simulation