Author(s): Cornwell , Edward | Decinti , Antonio | Larrazábal , Guillermo
Journal: Revista de la Sociedad Química de México
ISSN 0583-7693
Volume: 44;
Issue: 4;
Start page: 247;
Date: 2000;
Original page
Keywords: Electrotopological state | connectivity index | noncovalent interaction | nickel | aminoacidate.
ABSTRACT
The electrotopological states of a series of a-aminoacids are calculated. The resulting indices are correlated with the logarithms of the stepwise formation constants K1 and K2 of the respective nickel(II)-aminoacidate complexes by using multiple linear regression analysis. Good correlation equations are obtained for both stepwise formation constant series. A reduction in the number of descriptors by combining the electrotopological states of the potential ligands groups with first- order 1cv molecular connectivity indices is also attempted.
Journal: Revista de la Sociedad Química de México
ISSN 0583-7693
Volume: 44;
Issue: 4;
Start page: 247;
Date: 2000;
Original page
Keywords: Electrotopological state | connectivity index | noncovalent interaction | nickel | aminoacidate.
ABSTRACT
The electrotopological states of a series of a-aminoacids are calculated. The resulting indices are correlated with the logarithms of the stepwise formation constants K1 and K2 of the respective nickel(II)-aminoacidate complexes by using multiple linear regression analysis. Good correlation equations are obtained for both stepwise formation constant series. A reduction in the number of descriptors by combining the electrotopological states of the potential ligands groups with first- order 1cv molecular connectivity indices is also attempted.
