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 |