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. 2018 May 11;19(5):1436. doi: 10.3390/ijms19051436
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
q2 cross-validated correlation coefficient
ONC optimal number of components
R2 non-cross-validated correlation coefficient
rpred2 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