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. 2020 Apr 5;21(7):2534. doi: 10.3390/ijms21072534
AChE acetylcholinesterase
AD applicability domain
Adjusted MSE adjusted mean square errors
Adjusted MSECV adjusted mean square errors of leave-ten-out cross-validation
Adjusted SS adjusted sum of squares
AI–AVII astragalosides I–VII
BBB blood–brain barrier
CNS central nervous system
CSF cerebrospinal fluid barrier
Fb fraction unbound in brain
Fu fraction unbound in plasma
Kin influx rate constant
HPLC High performance liquid chromatography
LDA linear discriminant analysis
LFER Linear free energy relationships
log(PSFubrain) brain/plasma equilibration rate
logBB logarithm of the ratio between the brain and the blood concentration
logPow logarithm of n-octanol/water partition coefficient
LTO leave-ten-out cross-validation
MLR multiple linear regression
MW molecular weight
PAMPA parallel artificial membrane permeability assay
PLS partial least square
PS permeability surface area product
PSA polar surface area
RMSE root-mean-square error of calibration
RMSECV root-mean-square error of leave-ten-out cross-validation
PRESS predicted residual sum of squares
QSAR quantitative structure–activity relationships
SE coefficient standard error
SS regression regression sum of squares
SS total total sum of squares
VIF variance inflation factors