On the deduction of chemical reaction pathways from measurements of time series of concentrations.
We discuss the deduction of reaction pathways in complex chemical systems from measurements of time series of chemical concentrations of reacting species. First we review a technique called correlation metric construction (CMC) and show the construction of a reaction pathway from measurements on a part of glycolysis. Then we present two new improved methods for the analysis of time series of concentrations, entropy metric construction (EMC), and entropy reduction method (ERM), and illustrate (EMC) with calculations on a model reaction system. (c) 2001 American Institute of Physics.
Samoilov
Michael
M
Department of Chemistry, Stanford University, Stanford, California 94305.
Arkin
Adam
A
Ross
John
J