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Bond additive Modeling 4. QSPQR and QSAR studies of the variable Adriatic indices


Vukičević, Damir
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)


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


Projekt / tema
037-0000000-2779 - Diskretna matematika i primjene (Dragutin Svrtan, )
177-0000000-0884 - Diskretni matematički modeli u kemiji (Damir Vukičević, )

Ustanove
Prirodoslovno-matematički fakultet, Split

Autor s matičnim brojem:
Damir Vukičević, (256631)

Časopis indeksira:


  • Current Contents Connect (CCC)
  • Web of Science Core Collection (WoSCC)
    • Science Citation Index Expanded (SCI-EXP)
    • SCI-EXP, SSCI i/ili A&HCI
  • Scopus


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