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. 2016 Jun 9;17(6):914. doi: 10.3390/ijms17060914
AD Applicability Domain
ADMET Absorption, Distribution, Metabolism, Excretion and Toxicity
CART Classification and Regression Trees
CYP Cytochrome P450
FP binary Fingerprints
ECFP Extended Connectivity Fingerprints
k-NN k-Nearest Neighbors
MD classical Molecular Descriptors
MF Molecular Fragment
N3 N-Nearest neighbors
NER Non-Error Rate
QSAR Quantitative Structure-Activity Relationship
SMILES Simplified Molecular Input Line Entry System
Sn Sensitivity
Sp Specificity