On the usefulness of graph-theoretic descriptors in predicting theoretical parameters. Phototoxicity of polycyclic aromatic hydrocarbons (PAHs)

Croatica Chemica Acta

Volumn 77, Issue 1-2, 2004, Pages 203-211

  Estrada, Ernesto ^a   Patlewicz, Grace ^a  

^a UNILEVER RESEARCH   (United Kingdom)

Author keywords

Graph theoretic HMO approach; Graph theoretic descriptors; Mechanistic interpretation of models; Polycyclic aromatic hydrocarbons (PAHs); Prediction of biological parameters; QSAR models

Indexed keywords

POLYCYCLIC AROMATIC HYDROCARBON;

ANALYTIC METHOD; ARTICLE; MATHEMATICAL ANALYSIS; PHOTOACTIVATION; PHOTOTOXICITY; PREDICTION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; THEORETICAL MODEL; ULTRAVIOLET RADIATION;

EID: 3042782037     PISSN: 00111643     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

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