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Entries from:

PAC, 1997, 69, 1137. Glossary of terms used in computational drug design (IUPAC Recommendations 1997), doi:10.1351/pac199769051137


artificial neural networks
chemometrics
CLOGP values
cluster analysis
comparative molecular field analysis (CoMFA)
computational chemistry
computer-assisted drug design (CADD)
computer-assisted molecular design (CAMD)
computer-assisted molecular modeling (CAMM)
conformational analysis in drug design
3D-QSAR (three-dimensional quantitative structure–activity relationships)
discriminant analysis
docking studies
drug design
genetic algorithm
Hansch analysis
hydrophilicity
hydrophobicity
lipophilicity
MOL file format
molecular connectivity index
molecular design
molecular dynamics in drug design
molecular graphics
molecular modeling
molecular shape
molfile
multivariate statistics
partial least squares (PLS)
pattern recognition
quantitative structure–activity relationship (QSAR) in drug design
receptor in drug design
regresssion analysis
SMILES
structure-based design in drug design
structure-property correlations (SPC)