Parameter and structure-activity data bases: management for maximum utility.
Quantitative structure-activity relationships (QSAR) in the fields of medicinal chemistry, pesticide science, biochemistry and toxicology are being published at an ever increasing rate. In addition to these biological correlation equations, thousands of such equations have been published for all kinds of organic reactions. There is a great need to develop a computerized system to enable one to make comparisons and to draw generalizations about the effects of structure on chemical and biological activity. A proposal is made for a systematic approach to this problem based on the physicochemical properties of organic compounds.
D055598:Chemical Phenomena; D002627:Chemistry, Physical; D003201:Computers; D004560:Electricity; D007256:Information Systems; D012044:Regression Analysis; D013329:Structure-Activity Relationship; D013816:Thermodynamics