PubMed HealthSearch

PubMed · 925931

Kinetic parameter estimation by numerical algorithms and multiple linear regression: theoretical.

Abstract

A new method is presented for the determination of kinetic parameters based on a functional relationship among experimental data derived from the postulated model. The data, even though containing errors, are manifestations of this relationship, which should be satisfied by parameters fitted to the system. The procedure involves the use of numerical integration and/or differentiation of the data, followed by multiple linear regression. It does not require initial estimates or repetitive iteration for linear systems and can be applied to nonlinear models. The accuracy of estimated parameter depends on the goodness of the particular numerical approximation method used.

Explore related subjects

Keep this discovery

Explore connections, maps & timelines

BibTeXRIS

K C Yeh. 1977. Kinetic parameter estimation by numerical algorithms and multiple linear regression: theoretical.. https://doi.org/10.1002/jps.2600661208

Cite the original work for its findings. Save a collection to share your selection of sources.

KEEP EXPLORING

Related citations

Molecular orbital study on the glutathione-dependent detoxication of ozonides.

The present paper describes a theoretical study on the mechanism underlying the reaction of cellular glutathione (GSH) with polyunsaturated fatty acid ozonides. The reaction can be catalyzed by glutathione S-transferases and leads to detoxication of the ozonides. Semi-empirical molecular orbital computer calculations suggest that the reaction of glutathione with ozonides involves a nucleophilic attack at one of the carbon atoms of the ozonide ring, instead of at one of the peroxidic oxygen atoms of the ozonide ring. This implies a mechanism different from that of the glutathione S-transferase-mediated reaction with hydroperoxides, previously proposed for the glutathione-dependent detoxication of fatty acid ozonides.

Computers