Locally Linear Embedding for dimensionality reduction in QSAR

Journal of Computer-Aided Molecular Design

Volumn 18, Issue 7-9, 2004, Pages 475-482

  L'Heureux, P J ^a   Carreau, J ^a   Bengio, Y ^a   Delalleau, O ^a   Yue, S Y ^b  

^a UNIVERSITÉ DE MONTRÉAL   (Canada)

^b ASTRAZENECA   (United Kingdom)

Author keywords

Kernel methods; Neural network; QSAR; Spectral dimensionality reduction

Indexed keywords

COMPUTATIONAL CHEMISTRY; DATA REDUCTION;

CHEMICAL DATA; CURRENT PRACTICES; DIMENSIONALITY REDUCTION; KERNEL-METHODS; LOCALLY LINEAR EMBEDDING; NEURAL-NETWORKS; NONLINEAR DIMENSIONALITY REDUCTION; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP; SPECTRAL DIMENSIONALITY REDUCTION; VARIABLES SELECTIONS;

NEURAL NETWORKS;

BENZODIAZEPINE DERIVATIVE; BENZODIAZEPINE RECEPTOR; MUSCARINIC M1 RECEPTOR;

ANALYTIC METHOD; ANALYTICAL ERROR; ANTICONVULSANT ACTIVITY; ARTICLE; ARTIFICIAL NEURAL NETWORK; CONTROLLED STUDY; DRUG RECEPTOR BINDING; EMBEDDING; INFORMATION PROCESSING; MATHEMATICAL COMPUTING; MUSCLE RELAXATION; NONLINEAR SYSTEM; PHYSICAL CHEMISTRY; PRINCIPAL COMPONENT ANALYSIS; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SEDATION;

EID: 20844455453     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s10822-004-5319-9     Document Type: Article

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