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

Autori
Vedrina, Mijo ; Marković, Stribor ; Medić-Šarić, Marica ; Trinajstić, Nenad

Izvornik
Computers & chemistry (0097-8485) 21 (1997), 6; 355-361

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
program for computing the topological indices

Sažetak
The 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-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 designed two versions of this program regarding data input: the first employing EDIT input and the second with graphical input. Program was written in Borland C ++ language and is operable on IBM PC processors.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

POVEZANOST RADA