Carcinogenic classification of polycyclic aromatic hydrocarbons through theoretical descriptors

International Journal of Quantum Chemistry

Volumn 103, Issue 5, 2005, Pages 718-730

  Troche, Karla S ^a   Braga, Scheila F ^a   Coluci, Vitor R ^a   Galvão, Douglas S ^a  

^a UNIVERSITY OF CAMPINAS   (Brazil)

Author keywords

EIM; Neural network; PAH; PCA; SIMCA

Indexed keywords

ACTIVATION ANALYSIS; CARCINOGENS; COMPUTER SIMULATION; HAMILTONIANS; METABOLISM; NEURAL NETWORKS; PATTERN RECOGNITION; PRINCIPAL COMPONENT ANALYSIS;

ELECTRONIC INDICES METHODOLOGY (EIM); HIERARCHICAL CLUSTER ANALYSIS (HCA); SOFT INDEPENDENT MODELING OF CLASSS ANALOGIES (SIMCA); STRUCTURE-ACTIVITY RELATIONSHIP (SAR);

POLYCYCLIC AROMATIC HYDROCARBONS;

EID: 20844431988     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20529     Document Type: Conference Paper

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