Dataset on assessment of thermodynamic feasibility of a variety of ketone to alcohol transformations suited for biocatalysis

Thermodynamics governs the feasibility of
reactions, while chemical kinetics provide information on how rapid a reaction
proceeds in the forward direction. Setting up new metabolic pathways or
reactions is the core capability of metabolic engineering and biocatalysis
research. One of the important tools that provide information on the
feasibility of reactions is thermodynamic analysis through calculating the
Gibbs free energy of reaction. In particular, only thermodynamically feasible
reactions would be considered further. However, reactions that are
thermodynamically feasible may still encounter a large activation energy trap
which requires high temperature or a catalyst to facilitate forward reaction.
This dataset provides the thermodynamic feasibility analysis for the
transformation of ketones to alcohols for a variety of ketones that may be of
use in the biocatalytic industry. Data are presented in the form of an Excel
spreadsheet, and should be a good reference for researchers in biocatalysis.