Estimation of standard Gibbs energy changes of biotransformations.
Contributions and corrections for the estimation of standard Gibbs energies are given. The group contribution method, applicable to both cyclic and acyclic compounds, permits the approximate estimation of the standard Gibbs energy of a biotransformation, given the stoichiometry and structures of the metabolites involved. Estimated standard Gibbs energies of formation for a number of acyclic biochemical compounds are provided.
Mavrovouniotis
M L
ML
Systems Research Center, University of Maryland, College Park 20742.
D001711:Biotransformation; D013816:Thermodynamics