Application of MS-WHIM descriptors: 3. Prediction of molecular properties

Quantitative Structure-Activity Relationships

Volumn 19, Issue 1, 2000, Pages 39-49

  Bravi, Gianpaolo ^a,b   Wikel, James H ^a  

^a ELI LILLY AND COMPANY   (United States)

^b GLAXOSMITHKLINE   (United Kingdom)

Author keywords

CoMMA; Hydrogen bonding; Hydrophobicity; LogP; MEP; Molecular descriptors; Molecular surface; MS WHIM; PCA; Permeability; pK(a); PLS; Shape; Size

Indexed keywords

HYDROGEN; HYDROPHOBICITY; MOLECULES;

COMMA; LOGP; MEP; MOLECULAR DESCRIPTORS; MOLECULAR SURFACES; MS-WHIM; PCA; PERMEABILITY; PK(A); PLS; SHAPE; SIZE;

HYDROGEN BONDS;

IMIDAZOLE DERIVATIVE;

ARTICLE; CELL MEMBRANE PERMEABILITY; HYDROGEN BOND; HYDROPHOBICITY; MODEL; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SURFACE PROPERTY;

EID: 0034087382     PISSN: 09318771     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1521-3838(200002)19:1<39::AID-QSAR39>3.0.CO;2-N     Document Type: Article

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