Computer‐Assisted Structure‐Activity Relationship Analysis: Pattern Recognition Studies on Hypolipidemic Arylpropionic Acid Derivatives
Vijay K. Gombar, Edward P. Jaeger, Peter C. Jurs · Quantitative Structure-Activity Relationships · 1988
Abstract Pattern recognition techniques are applied to analyze the structure‐activity relationships (SAR) among α‐substituted‐β‐arylpropionic acid derivatives possessing hypolipidemic properties. The triglyceride lowering activity of 116 such compounds is investigated. Twelve structural descriptors are identified which can discriminate derivatives more active than clofibrate from those which have activity to or less than that of clofibrate with a success rate greater than 97%. Among the 12 descriptors selected out of a total of about 70, three are electronic and two are geometric. In addition, certain chemical substructures and their environments have been found to be important in determining the activity class.