Table 2 Near-infrared AfiLab milk prediction performance considering the systematic effect of days in milk and parity through different cross-validation scheme for hematochemical parameters using machine learning.

Hematochemical parameters^a	r		RMSE		Slope
Hematochemical parameters^a	10-fold	Batch-out	10-fold	Batch-out	10-fold	Batch-out
Hematocrit, l/l (log₁₀)	0.30	0.33	0.01	1.23	− 8.02	16.74
Energy-related metabolites
Glucose, mmol/l	0.61	0.42	4.18	0.29	0.94	0.93
Cholesterol, mmol/l	0.65	0.39	0.90	1.13	0.95	0.66
NEFA, mmol/l (log₁₀)	0.44	0.16	0.01	0.01	0.71	− 0.05
BHBA, mmol/l (log₁₀)	0.54	0.50	0.12	0.13	0.85	0.66
Urea, mmol/l	0.62	0.54	0.82	0.88	0.92	0.94
Creatinine, µmol/l (log₁₀)	0.42	0.36	0.03	0.03	0.73	0.67
Liver function/hepatic damage
AST, U/l (log₁₀)	0.45	0.37	0.08	0.09	0.91	0.91
GGT, U/l (log₁₀)	0.58	0.46	0.10	0.10	0.91	0.68
BILt, µmol/l (log₁₀)	0.42	0.15	0.16	0.18	0.73	0.34
Albumin, g/l	0.58	0.28	1.92	2.28	0.72	0.31
ALP, U/l	0.54	0.40	16.45	17.11	0.88	0.68
PON, U/ml	0.31	0.17	18.82	20.40	0.58	0.29
Oxidative stress metabolites
ROMt, mgH₂O₂/100 ml	0.60	0.39	2.59	2.91	0.95	0.51
AOPP, µmol/l	0.44	0.11	8.30	8.98	0.72	0.12
FRAP, µmol/l (log₁₀)	0.56	0.15	0.08	0.11	0.92	− 0.20
SHp, µmol/l	0.57	0.33	42.79	53.29	0.92	0.76
Inflammation/innate immunity
Ceruloplasmin, µmol/l	0.46	0.35	0.56	0.58	0.74	0.55
PROTt, g/l	0.57	0.54	4.03	4.13	0.82	0.84
Globulins, g/l	0.61	0.63	4.18	4.30	0.94	0.87
Haptoglobin, g/l	0.66	0.32	0.01	0.01	0.91	0.21
Myeloperoxidase, U/l	0.47	0.42	65.60	64.06	0.81	0.79
Minerals
Calcium, mmol/l	0.36	0.26	0.11	0.12	0.65	0.59
Phosphorus, mmol/l	0.39	0.11	0.32	0.41	0.68	0.32
Magnesium, mmol/l	0.45	0.34	0.10	0.11	0.71	0.72
Sodium, mmol/l	0.65	0.51	2.18	2.40	0.86	0.83
Potassium, mmol/l	0.32	0.22	0.36	0.40	0.61	0.44
Chlorine, mmol/l	0.30	0.14	2.26	2.37	0.46	0.18
Zinc, µmol/l	0.59	0.47	1.88	2.26	0.87	0.74

All the presented results are the average of the different folds (10 for the 10-fold and 5 for the leave-one-batch-out).
RMSE = root mean square error.
^aNEFA non-esterified fatty acids, BHBA β-hydroxybutyric acid, AST aspartate aminotransferase, GGT γ-glutamyl transferase, BILt total bilirubin, ALP alkaline phosphatase, PON paraoxonase, ROMt total reactive oxygen metabolites, AOPP advanced oxidation protein products, FRAP ferric reducing antioxidant power, SHp thiolic groups, PROTt total proteins.

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