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TAM: a program for the calculation of topological indices in QSPR and QSAR studies (CROSBI ID 80163)

Prilog u časopisu | izvorni znanstveni rad | međunarodna recenzija

Vedrina, Mijo ; Marković, Stribor ; Medić-Šarić, Marica ; Trinajstić, Nenad TAM: a program for the calculation of topological indices in QSPR and QSAR studies // Computers & chemistry, 21 (1997), 6; 355-361-x

Podaci o odgovornosti

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

engleski

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

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.

program for computing the topological indices

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Podaci o izdanju

21 (6)

1997.

355-361-x

objavljeno

0097-8485

Povezanost rada

Kemija

Indeksiranost