M. Vedrina et al., TAM - A PROGRAM FOR THE CALCULATION OF TOPOLOGICAL INDEXES IN QSPR AND QSAR STUDIES, Computers & chemistry, 21(6), 1997, pp. 355-361
We designed an efficient program for computing topological indices use
d in QSAR and QSPR studies, including Wiener's index, a modified Wiene
r's index, Balaban's index, a modified Balaban's index, the informatio
n-theoretical index, a modified information-theoretical 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. We des
igned two versions of this program regarding data input: the first emp
loying EDIT input and the second with graphical input. Program was wri
tten in Borland C++ language and is operable on IBM PC processors. Cop
yright (C) 1998 Elsevier Science Ltd.