Structure-based classification of active and inactive estrogenic compounds by decision tree, LVQ and kNN methods

Chemosphere

Volumn 62, Issue 4, 2006, Pages 658-673

  Asikainen, Arja ^a   Kolehmainen, Mikko ^a   Ruuskanen, Juhani ^a   Tuppurainen, Kari ^a  

^a UNIVERSITY OF EASTERN FINLAND   (Finland)

Author keywords

Endocrine disruptors; Estrogen receptor; Principal components; Sammon's mapping; SAR; Tooldiag

Indexed keywords

CONSTRUCTION; PERFORMANCE; PREDICTIVE CONTROL SYSTEMS; PRINCIPAL COMPONENT ANALYSIS; STRUCTURE (COMPOSITION); STRUCTURES (BUILT OBJECTS);

DECISION TREE (DT); ENDOCRINE DISRUPTORS; ESTROGEN RECEPTOR; LEARNING VECTOR QUANTIZATION (LVQ); TOOLDIAG;

CLASSIFICATION (OF INFORMATION);

ESTROGEN; ESTROGEN RECEPTOR;

ESTROGENIC COMPOUND;

ARTICLE; CHEMICAL STRUCTURE; COMPUTER PROGRAM; MATHEMATICAL MODEL; MODEL; PREDICTION; PRINCIPAL COMPONENT ANALYSIS; STRUCTURE ACTIVITY RELATION;

EID: 28444485615     PISSN: 00456535     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemosphere.2005.04.115     Document Type: Article

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