Table 2.

Final sets of initial conditions that fit the training data and match the validation data well.

Metabolite	IC #1 (mM)	IC #2 (mM)	Metabolite	IC #1 (mM)	IC #2 (mM)
GLC	1.4 × 101	3.1 × 100	GSH	2.1 × 100	3.1 × 100
ATP	7.7 × 100	9.9 × 100	mPYR	7.9 × 100	6.9 × 100
G6P	1.2 × 100	1.8 × 100	mAcCoA	1.2 × 10−1	1.0 × 10−1
ADP	1.9 × 100	1.0 × 100	mCIT	9.8 × 10−2	5.0 × 10−1
F6P	2.1 × 10−1	2.8 × 10−2	mICIT	1.7 × 10−2	2.49 × 10−2
FBP	1.0 × 10−1	3.8 × 10−1	mAKG	2.0 × 10−2	1.57 × 10−2
DHAP	8.8 × 10−1	7.7 × 10−1	mSCoA	7.2 × 10−1	1.5 × 100
G3P	5.7 × 10−1	4.4 × 10−2	mSUC	2.5 × 100	1.8 × 100
NAD	3.1 × 10−1	8.1 × 10−1	mFUM	1.6 × 10−1	1.6 × 10−1
13BPG	6.7 × 10−3	1.4 × 10−2	mMAL	1.2 × 100	2.2 × 100
3PG	3.4 × 10−1	9.9 × 10−2	mOAA	1.9 × 100	1.7 × 100
2PG	4.9 × 10−2	4.5 × 10−2	mASP	4.3 × 100	3.2 × 100
PEP	5.4 × 10−2	2.1 × 10−1	mGLU	2.0 × 100	3.0 × 10−1
PYR	8.1 × 100	4.4 × 100	ASP	7.0 × 100	6.7 × 100
LAC	1.9 × 101	6.3 × 101	GLU	2.8 × 100	3.2 × 100
AMP	2.5 × 10−1	1.3 × 100	OAA	1.2 × 100	1.2 × 100
6PG	4.5 × 10−3	9.4 × 10−3	MAL	1.9 × 100	2.1 × 100
Ru5P	2.7 × 10−2	7.6 × 10−2	AKG	6.1 × 10−3	2.1 × 10−2
Xyl5P	1.3 × 10−2	1.3 × 10−2	CIT	5.1 × 10−1	1.7 × 10−1
R5P	1.4 × 10−2	6.0 × 10−3	GLN	4.3 × 100	5.5 × 100
E4P	1.8 × 10−1	5.2 × 10−2	NADH	6.1 × 10−2	9.7 × 10−3
S7P	5.7 × 10−2	7.1 × 10−2	NADPH	5.6 × 10−3	3.3 × 10−2
NADP	3.8 × 10−1	7.2 × 10−2	GSSG	3.2 × 10−1	9.1 × 10−1