. 2010 Nov 28;27(1):142–143. doi: 10.1093/bioinformatics/btq607

Table 1.

Data required to establish a thermodynamically constrained stoichiometric model of metabolism

Data	Ref./range
Metabolic reconstruction	(Thiele and Palsson, 2010)
Experimental Δ_iG^o and Δ_iH^o	(Alberty, 2006)
+/- Group contribution estimate of Δ_iG^o	(Jankowski et al., 2008)
Metabolite structure data file	.mol
Temperature	273–313 K
pH	5 to 9
Electrical potential	(mV)
Ionic strength	0–0.35 M
Metabolomic data

A group contribution estimate of Δ_iG^o is necessary if no experimental data are available.