Pregled bibliografske jedinice broj: 158613
Lipophilicity Study of Salicylamide
Lipophilicity Study of Salicylamide // Acta pharmaceutica, 54 (2004), 2; 91-101 (međunarodna recenzija, članak, znanstveni)
CROSBI ID: 158613 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
Naslov
Lipophilicity Study of Salicylamide
Autori
Medić-Šarić, Marica ; Mornar, Ana ; Jasprica, Ivona
Izvornik
Acta pharmaceutica (1330-0075) 54
(2004), 2;
91-101
Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni
Ključne riječi
computer modeling; lipophilicity; log P; salicylamide
Sažetak
Molecular lipophilicity was studied using salicylamide as a model drug. Log P value for the target compound was experimentally determined by "shake-flask" method and calculated using nine different computer programs: based on atom contributions, based on atom/fragment contributions, based on 13 structural parameters, based on fragmental contributions, based on atom-type electrotopological-state indices and neural network modeling, and based on topological structure descriptors. Our analysis demostrates perfect agreement between experimentally observed log P value of salicylamide and calculated value by CSLogP program, based on topological structure descriptors and electrotopological indices.
Izvorni jezik
Engleski
Znanstvena područja
Kemija
