Figure 2.

Thermodynamics in ModelSEED and eQuilibrator. We integrated the results calculated by eQuilibrator, a more recently developed approach, to estimate the Gibbs energy of formation for >17K compounds and 17K reactions in the database. In comparing the results for reactions to those of the group contribution approach used in this and prior releases of ModelSEED, we find that there is very little change. In a very small percentage of cases, the error reported for values computed by eQuilibrator is much higher than that reported for the group contribution approach (inset). The integration of data computed by eQuilibrator led to the adjustment of thermodynamic reversibility for roughly ∼5% of the reactions in our database (see ‘Thermodynamics’ section).