Descriptor assignment Coeffi cient Mean effecta
Threonine YCH3 811.61 25.97
Lipid CH3CH2CH2 455.19 20.58
Lactate CH3 610.94 7.33
Alanine CH3 837.68 6.62
Lipid CH3CH2(CH2) 585.91 4.45
aMean effect of a descriptor is the product of its mean and regression coeffi cient in the MLR model
Table 3: Specifications of the selected MLR model.