Application of the Rough Set Theory in Structure Activity Relationships of Antielectrostatic Imidazolium Compounds

Abstract

The relationships between the chemical structure and the antielectrostatic effect of 180 imidazolium chlorides were analysed using the method of rough sets. The antielectrostatic activity was determined by measurements of the surface resistance. Using the rough sets approach the smallest set of condition attributes significant for high quality of classification has been found. The resulting decision rules describe relations between the structure and the antielectrostatic properties of imidazolium chlorides in terms of significant condition attributes. This may be helpful in predicting the structures of the new antielectrostatic compounds to be synthesized.