TOPS-MODE approach to predict mutagenicity in dental monomers

The TOPological Sub-Strutural Molecular Design (TOPS-MODE) approach has been introduced for the study of mutagenic properties. The mutagenicity of 23 dental monomers was studied with this approach obtaining a good quantitative structure–toxicity model. For the comparison were involved four different...

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Bibliographic Details
Published in:Polymer (Guilford) 2004-03, Vol.45 (6), p.2045-2050
Main Authors: Helguera, Aliuska Morales, González, Maykel Pérez, Briones, Jaques Rieumont
Format: Article
Language:English
Subjects:
Applied sciences
Biological and medical sciences
Chemical mutagenesis
Exact sciences and technology
Medical sciences
Model compounds
Monomers
Mutagenicity
Organic polymers
Physicochemistry of polymers
QSAR
Toxicology
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Summary:The TOPological Sub-Strutural Molecular Design (TOPS-MODE) approach has been introduced for the study of mutagenic properties. The mutagenicity of 23 dental monomers was studied with this approach obtaining a good quantitative structure–toxicity model. For the comparison were involved four different weights in the diagonal entries of the bond matrix for selecting the best TOPS-MODE model. TOPS-MODE was used to derive the contribution of different fragments to the toxicity of studied compounds.
ISSN:0032-3861
1873-2291
DOI:10.1016/j.polymer.2004.01.022