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Alphabetical Index

Additional Indexes

Physical ConstantsUnits of MeasurePhysical QuantitiesSI PrefixesRing IndexGeneral FormulaeExact FormulaeSource DocumentsTerms by IUPAC Div.
Version 3.0.1 (6463 Terms)
DOI: 10.1351/goldbook
Jan Kaiser - Content Editor
Stuart Chalk - Technical Editor
Joint Subcommittee
on the IUPAC Gold Book

Terms (38) sourced from: 10.1351/pac199769051137

"Glossary of terms used in computational drug design (IUPAC Recommendations 1997)", Van De Waterbeemd, H.;Carter, R.E.;Grassy, G.;Kubinyi, H.;Martin, Y.C.;Tute, M.S.;Willett, P., Pure and Applied Chemistry 1997, 69(5), 1137

artificial neural networks
chemometrics CLOGP values cluster analysis comparative molecular field analysis computational chemistry computer-assisted drug design computer-assisted molecular design computer-assisted molecular modeling conformational analysis
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 molecular graphics molecular modeling molecular shape molfile multivariate statistics
partial least squares pattern recognition
quantitative structure–activity relationship
receptor regression analysis
SMILES structure-based design structure-property correlations
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