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. 2021 Jul 5;14(7):645. doi: 10.3390/ph14070645
(%)DL drug loading (percentage)
(%)EE entrapment efficiency (percentage)
AI artificial intelligence
AlCIPc Aluminium-chloride-phathalocyanine
Amber FF assisted model building with energy refinement force field
ANN artificial neural network
API active pharmaceutical ingredient
CCM continuous chirality measure
CD cyclodextrin
CED cohesive energy density
CGen FF CHARMM general force field
CHARMM FF chemistry at Harvard macromolecular mechanics force field
DDS drug delivery system
DFT density function theory
EC ethylcellulose
Emix mixing energy
FF force field
FFT fast fourier transform algorithm
FH Flory-Huggins theory
GCM group contribution method
GP Gaussian process
HB hydrogen bond
HPMC hydroxypropylmethyl cellulose
HSPiP Hansen solubility parameter in practice
KNN k-nearest neighbor
LDHN lipid-dendrimer hybrid nanoparticles
LGA Lamarckian genetic algorithm
LPHN lipid-polymer hybrid nanoparticles
MD molecular dynamics
ML machine learning
MLR multiple linear regression
MMFF Merck molecular force field
MOE molecular operating environment
MS materials studio
Mwt molecular weight
NanoMIPs molecularly imprinted polymeric nanopartices
NIPAAm N-isopropylacrylamide
OBMD oligobutylmorpholinediol
ONIOM our N-layered integrated molecular orbital+molecular mechanics
OPLS FF optimized potentials for liquid simulations force field
PAA Polyallylamine
PAMAM polyamidoamine
PAS Polyaminostyrene
PCFF polymer consistent force filed
PCL polycaprolactone
PDLA poly-D-lactic acid
PEA Polyethyleneamine
PEG polyethylene glycol
PEO polyethylene oxide
PGA polyglycolic acid
PLGA polylactic-co-glycolic acid
PLL poly-L-lysine
PLLA poly-L-lactic acid
PM polymeric micelles
PN polymeric nanoparticles
PS-PAA polystyrene-polyacrylic acid
PVA1 polyvinyl alcohol
PVA2 polyvinyl amine
QM/MM quantum mechanics/molecular mechanics
QSPR quantitative structure-property relationship
R/R2 correlation/determination coefficients
SF scoring function
SLN solid lipid nanoparticles
SP/δ solubility parameter
SPF spherical polar fourier algorithm
SPR surface plasmon resonance
SVR support vector regression
TPSA topological polar surface area
UFF universal force field
XH Flory-Huggins interaction parameter
xLog P partition coefficient
Δδ difference in solubility parameters (drug and carrier)
ΔG binding energy