Pregled bibliografske jedinice broj: 559456
Bond additive Modeling 4. QSPQR and QSAR studies of the variable Adriatic indices
Bond additive Modeling 4. QSPQR and QSAR studies of the variable Adriatic indices // Croatica chemica acta, 84 (2011), 1; 87-91 doi:10.5562/cca1666 (međunarodna recenzija, članak, znanstveni)
CROSBI ID: 559456 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
Naslov
Bond additive Modeling 4. QSPQR and QSAR studies of the variable Adriatic indices
(Bond additive Modeling 4. QSPR and QSAR studies of the variable Adriatic indices)
Autori
Vukičević, Damir
Izvornik
Croatica chemica acta (0011-1643) 84
(2011), 1;
87-91
Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni
Ključne riječi
Adriatic indices; QSAR; QSPR
Sažetak
In this paper we analyze the set of the variable Adriatic indices. We show that three of these indices show very good predictive properties. Namely, the inverse sum -1.95-deg index is well correlated with the standard enthalpy of formation of octane isomers (R2 = 0.75) , the inverse sum 0.43-lodeg index is well correlated with the total surface area of octane isomers (R2 = 0.92) and the sum 0.37-exdeg index is well correlated with the octanol-water partition coefficient (R2 = 0.99).
Izvorni jezik
Engleski
Znanstvena područja
Matematika, Kemija
POVEZANOST RADA
Projekti:
037-0000000-2779 - Diskretna matematika i primjene (Svrtan, Dragutin, MZOS ) ( CroRIS)
177-0000000-0884 - Diskretni matematički modeli u kemiji (Vukičević, Damir, MZOS ) ( CroRIS)
Ustanove:
Prirodoslovno-matematički fakultet, Split
Profili:
Damir Vukičević
(autor)
