A Study of the QSAR (Quantitative Structural Activity Relationship) on Enviromental Pollution Using an Expert System

In this paper, an expert software system for the study of the QSAR on environmental pollution is introduced.The case study of the QSAR of 62 heterocyclic amines has been carried out.To test the functionality of the software,the results of the study show that,using logical rules,the expert system is able to determine the enhanced or inhibited effects of particular molecular structures;however,those effects are very difficult to determine as numerical values.Thus,in some cases,the expert system is a better QSAR model than the traditional numerical value models.