Statistical modeling of a ligand knowledge base

Journal of Chemical Information and Modeling

Volumn 46, Issue 6, 2006, Pages 2591-2600

  Mansson, Ralph A ^a   Welsh, Alan H ^a,c   Fey, Natalie ^b   Orpen, A Guy ^b  

^a UNIVERSITY OF SOUTHAMPTON   (United Kingdom)

^b UNIVERSITY OF BRISTOL   (United Kingdom)

^c AUSTRALIAN NATIONAL UNIVERSITY   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

DATA REDUCTION; KNOWLEDGE BASED SYSTEMS; MATHEMATICAL MODELS; PARAMETER ESTIMATION; PRINCIPAL COMPONENT ANALYSIS; REGRESSION ANALYSIS;

LIGAND KNOWLEDGE BASE (LKB); PARTIAL LEAST SQUARES; STATISTICAL MODELS; TOLMAN ELECTRONIC PARAMETER (TEP);

MOLECULAR STRUCTURE;

LIGAND; PHOSPHORUS;

ALGORITHM; ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER PROGRAM; ELECTRON; KNOWLEDGE BASE; NONLINEAR SYSTEM; REGRESSION ANALYSIS; STATISTICAL MODEL; THEORETICAL MODEL;

ALGORITHMS; ELECTRONS; KNOWLEDGE BASES; LIGANDS; LINEAR MODELS; MODELS, CHEMICAL; MODELS, STATISTICAL; MODELS, THEORETICAL; NONLINEAR DYNAMICS; PHOSPHORUS; REGRESSION ANALYSIS; SOFTWARE;

EID: 33845807472     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci600212t     Document Type: Article

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