Resumo

NEVES, Porfírio Jesus das; COSTA, João Batista Neves da; NDIYAE, Papa Matar  e  CARNEIRO, José Walkimar de Mesquita. TOP ¾ a software for calculation of topological descriptors to be used in structure - activity relationships. Quím. Nova [online]. 1998, vol.21, n.6, pp. 709-713. ISSN 0100-4042.  http://dx.doi.org/10.1590/S0100-40421998000600007.

A computational interface, using sybyl format as an input file, was created in order to calculate connectivity indexes. After generation and classification of all substructures, which derive from the molecular structure, this interface calculates all possible orders from zero up to the maximun number of bonds in the molecule. Other topological indexes such as Wiener and Schultz indexes can also be calculated.

Palavras-chave : topological index; connectivity index; QSAR.