DAPY |
diarylpyrimidine |
NNRTI |
nonnucleoside reverse transcriptase inhibitor |
AIDS |
acquired immunodeficiency syndrome |
3D-QSAR |
three-dimensional quantitative structure-activity relationship |
CoMFA |
comparative molecular field analysis |
CoMSIA |
comparative molecular similarity indices analysis |
HIV |
human immunodeficiency virus |
HAART |
highly active antiretroviral therapy |
RT |
reverse transcriptase |
HIV-1 |
HIV type 1 |
WT |
wild-type |
CAPY |
cycloalkyl arylpyrimidine |
|
cross-validated correlation coefficient |
ONC |
optimal number of components |
|
non-cross-validated correlation coefficient |
|
predictive correlation coefficient |
SEE |
standard error of estimate |
F |
F-statistic values |
RMSE |
root mean square error |
MAE |
mean absolute error |
GALAHAD |
Genetic Algorithm with Linear Assignment of Hypermolecular Alignment of Datasets |
SE |
strain energy |
SO |
steric overlap |
PhS |
pharmacophoric similarity |
DA |
hydrogen-bond donor atom |
AA |
hydrogen-bond acceptor atom |
HY |
hydrophobe |
RMSD |
root-mean-square deviation |
LOO |
leave one out |
SDEP |
standard deviation error of predictions |
PRESS |
predicted residuals sum of squares |