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 |