DESIGN OF TOPOLOGICAL INDEXES .3. NEW IDENTIFICATION NUMBERS FOR CHEMICAL STRUCTURES - MINID AND MINSID

Identification (ID) numbers are structural invariants based on weighte d paths and walks in the molecular graph. They are useful molecular de scriptors in the structure-property and structure-activity relationshi p studies, with very low degeneracy and high structure discriminating ability. For cyclic structures, the number of paths and walks increase s very fast and the computation of ID numbers for large polycyclic mol ecular graphs is very time consuming. New identification numbers, MINI D and MINSID, are defined using weighted distances of the molecular gr aph. Their computation is easier and faster than that of the previousl y defined ID numbers.