Modeling biological activity of imidazolium oximes (CROSBI ID 464975)
Prilog sa skupa u zborniku | sažetak izlaganja sa skupa | domaća recenzija
Podaci o odgovornosti
Odžak, Renata ; Medven, Željka ; Sabljić, Aleksandar
engleski
Modeling biological activity of imidazolium oximes
The aim of this work was to develop and evaluate QSAR model for estimating biological activity of imidazolium oximes. Biological activity is characterized by acute toxicity (LD50) determined in male mice. Imidazolium oximes are characterized by molecular connectivity indices (MCI) and quantum-chemical descriptors. The semiempirical quantum mechanical method PM3 (MOPAC version 6.0) was used to calculate various quantum chemical parameters for imidazolium compounds. Multiple linear regression was used for correlations between biological activity and calculated descriptors.The scope was to determine the most important factors influencing biological activity.
imidazolium oximes; acute toxicity; modeling
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Podaci o prilogu
108-108-x.
1997.
objavljeno
Podaci o matičnoj publikaciji
XV. Hrvatski skup kemičara i kemijskih inženjera-Sažeci
Gojo, Miroslav ; Smolec, Sonja ; Trajkov, Nada
Hrvatsko društvo kemijskih inženjera i tehnologa (HDKI)
Podaci o skupu
XV. Hrvatski skup Kemičara i kemijskih inženjera
poster
01.01.1997-01.01.1997
Opatija, Hrvatska