TAM - A PROGRAM FOR THE CALCULATION OF TOPOLOGICAL INDEXES IN QSPR AND QSAR STUDIES

Citation
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
Citations number
38
Journal title
ISSN journal
00978485
Volume
21
Issue
6
Year of publication
1997
Pages
355 - 361
Database
ISI
SICI code
0097-8485(1997)21:6<355:T-APFT>2.0.ZU;2-4
Abstract
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.