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Alphabetical Index

Additional Indexes

Physical ConstantsUnits of MeasurementPhysical QuantitiesSI PrefixesRing IndexGeneral FormulaeExact FormulaeSource DocumentsTerms by IUPAC DivisionTerms by Organization
Version 5.0.0 (14588 Terms)
DOI: 10.1351/goldbook
Jan Kaiser - Content Editor
Stuart J. Chalk - Technical Editor
Joint Subcommittee
on the IUPAC Gold Book

Terms (36) 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
CLOGP valueschemometricscluster analysiscomparative molecular field analysiscomputational chemistrycomputer-assisted drug designcomputer-assisted molecular designcomputer-assisted molecular modelingconformational analysis in drug design
discriminant analysisdocking studiesdrug designthree-dimensional quantitative structure–activity relationships
genetic algorithm
Hansch analysishydrophilicityhydrophobicity
lipophilicity
MOL file formatmolecular connectivity indexmolecular designmolecular dynamics in drug designmolecular graphicsmolecular modelingmolecular shapemolfilemultivariate statistics
partial least squarespattern recognition
quantitative structure–activity relationship in drug design
receptor in drug designregression analysis
simplified molecular input line entry systemstructure-based design in drug designstructure-property correlations
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