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Table 1 Information on the ethanol and lycopene models, their corresponding EMs, and their reaction and pathway change in Gibbs free energy.

From: Utilizing elementary mode analysis, pathway thermodynamics, and a genetic algorithm for metabolic flux determination and optimal metabolic network design

 

Ethanol Model

Lycopene Model

Number of reactions

60

64

Number of metabolites

47

50

Mean EMA Computation Time (s) (± SD)

8.04 s ± 0.27 s

12.30 s ± 0.24 s

Number of EMs

33,220

42,659

Number of product-producing EMs (%)

8,389 (25.3%)

9,439 (22.1%)

Number of biomass-producing EMs (%)

28,336 (85.3%)

32,763 (76.8%)

Number of product- and biomass-producing EMs (%)

7,156 (21.5%)

4,427 (10.4%)

Δ G r ° Mean (kcal mol 1 )

1.95

1.77

Δ G r ° Skewness (kcal mol 1 )

4.54

0.42

Δ G p ° Mean (kcal mol 1 )

111.87

88.72

Δ G p ° Median (kcal mol 1 )

71.71

50.40

Number of thermodynamically-infeasible EMs (%)

242 (0.73%)

1487 (3.49%)