TAM: a program for the calculation of topological indices in QSPR and QSAR studies

摘要

We designed an efficient program for computing topological indices used in QSAR and QSPR studies, including Wiener's index, a modified Wiener's index, Balaban's index, a modified Balaban's index, the information-theoretical index, a modified information-theoreti- cal index, Schultz's index, a modified Schultz's index and vertex-connectivity indices. It can allocate enough memory for up to 250 atoms per molecule.