ADMET	absorption, distribution, metabolism, excretion, and toxicity
DFT	density functional theory
FMO	frontier molecular orbital
HOMO	highest occupied molecular orbital
LUMO	lowest unoccupied molecular orbital
MBC	minimum bactericidal concentration
MD	molecular dynamics
MEP	molecular electrostatic potential
MIC	minimum inhibitory concentration
NBO	natural bond charge
PASS	prediction of substance activity spectra
SAR	structure–activity relationship