Global 3D-QSAR methods: MS-WHIM and autocorrelation

Journal of Computer-Aided Molecular Design

Volumn 14, Issue 3, 2000, Pages 293-306

  Gancia, Emanuela ^a,b   Bravi, Gianpaolo ^a,c   Mascagni, Paolo ^a   Zaliani, Andrea ^a  

^a Italfarmaco SpA   (Italy)

^b UCB PHARMA   (Belgium)

^c GLAXOSMITHKLINE   (United Kingdom)

Author keywords

Connolly surface; Endothelin A; HIV reverse transcriptase; Holistic description; Molecular electrostatic potential; PCA; PLS

Indexed keywords

ATOMS; BIOACTIVITY; COMPUTATIONAL CHEMISTRY; ELECTROSTATICS; MOLECULAR GRAPHICS;

AUTO CORRELATION; CONNOLLY SURFACE; ENDOTHELIN; ENDOTHELIN A; HIV-REVERSE TRANSCRIPTASE; HOLISTIC DESCRIPTION; MOLECULAR ELECTROSTATIC POTENTIALS; PCA; PLS; REVERSE-TRANSCRIPTASE;

AUTOCORRELATION;

ANTI HUMAN IMMUNODEFICIENCY VIRUS AGENT; ENDOTHELIN A RECEPTOR ANTAGONIST; RNA DIRECTED DNA POLYMERASE INHIBITOR; SULFONAMIDE;

ARTICLE; CALCULATION; CHEMICAL STRUCTURE; CONTROLLED STUDY; CORRELATION FUNCTION; DRUG ACTIVITY; ELECTRIC POTENTIAL; ELECTRICITY; HUMAN IMMUNODEFICIENCY VIRUS 1; INTERMETHOD COMPARISON; MOLECULAR INTERACTION; MOLECULAR MODEL; MOLECULAR SIZE; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SURFACE PROPERTY;

EID: 0034064924     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1008142124682     Document Type: Article

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