On characterization of physical properties of amino acids

Milan Randić, Denise Mills, Subhash C Basak

Research output: Contribution to journalConference articlepeer-review

39 Scopus citations

Abstract

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.

Original languageEnglish (US)
Pages (from-to)1199-1209
Number of pages11
JournalInternational Journal of Quantum Chemistry
Volume80
Issue number6
DOIs
StatePublished - Dec 1 2000
EventInternational Symposium on the Application of Fundamental Theory to Problems of Biology and Pharmacology - St.Augustine, FL, USA
Duration: Feb 25 2000Mar 3 2000

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