Table 1. Prediction performance for absolute metabolite concentrations in E. coli and C. acetobutylicum under various growth conditions achieved based on: (I) chemical properties [29], (II) mTOW, (III) mTOW when controlling for the variation in measured concentrations that is explained by the chemical properties fit (via Pearson partial correlation [58]), and (IV) via a regression model that combines both methods.
E. coli
|
C. acetobutylicum
|
|||||
---|---|---|---|---|---|---|
Pearson correlations (R) for log [predicted concentration] vs. log [measured concentration] | Aerobic Glucose | Aerobic Acetate | Aerobic Glycerol | Anaerobic glucose | Acido-genesis | Solvento-genesis |
Chemical properties [29] | 0.57 | 0.41 | 0.47 | 0.14 | 0.16 | 0.12 |
(p<10-9) | (p<10-2) | (p<10-3) | non-significant | non-significant | non-significant | |
mTOW | 0.59 | 0.61 | 0.55 | 0.64 | 0.46 | 0.45 |
(p<10-5) | (p<10-4) | (p<10-4) | (p<10-4) | (p<10-4) | (p<10-3) | |
mTOW, controlling for chemical properties | 0.48 | 0.57 | 0.51 | - | - | - |
(p<10-3) | (p<10-2) | (p<10-2) | ||||
Integrating mTOW and chemical properties prediction | 0.74 | 0.6 | 0.58 | - | - | - |
(p<10-10) | (p<10-3) | (p<10-3) |
Chemical properties were unable to correctly predict metabolite concentrations in E. coli under anaerobic media and in C. acetobutylicum.