On characterization of physical properties of amino acids
Milan Randi, Denise R. Mills, Subhash C. Basak · International Journal of Quantum Chemistry · 2000
For correlating selected properties of amino acids we use the variable connectivity index 1χf which is obtained by generalizing the connectivity index 1χ by introducing variable weights. The generalized connectivity index assigns to each atom a parameter yet to be determined during the regression analysis so that the standard error of estimation becomes as small as possible. Using the weights −0.65, 5.25, 0.20, and 0.50 for carbon, oxygen, nitrogen, and sulfur, respectively, we obtained a multivariate regression with the regression coefficient 0.9865, standard error of 4.73, and Fisher ratio F=506 for partial molar volumes of amino acids. © 2000 John Wiley & Sons, Inc. Int J Quant Chem 80: 1199–1209, 2000