Computer Generation and Identification of Carcinogenic Bay Regions in Benzenoid Hydrocarbons (CROSBI ID 163561)
Prilog u časopisu | izvorni znanstveni rad | međunarodna recenzija
Podaci o odgovornosti
Knop, J.V. ; Szymansky, K. ; Jeričević, Željko ; Trinajstić, Nenad
engleski
Computer Generation and Identification of Carcinogenic Bay Regions in Benzenoid Hydrocarbons
A computer-oriented algorithm is developed for identification and enumeration of carcinogenic bay regions in benzenoid hydrocarbons.The results are reported for geometrically planar benzenoid systems up to ten fused rings.They fully agree with those obtained in a different way by Balasubramanian et al. The advantage of the proposed method is that we can display all planar benzenoid structures and identify the carcinogenic bays in each of them.
computer enumeration ; bay regions ; benzenoid hydrocarbons
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Podaci o izdanju
23 (2)
1983.
713-722
objavljeno
0020-7608
10.1002/qua.560230240
Povezanost rada
Matematika, Kemija, Računarstvo