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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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Published in: | Polymer (Guilford) 2004-03, Vol.45 (6), p.2045-2050 |
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container_title | Polymer (Guilford) |
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creator | Helguera, Aliuska Morales González, Maykel Pérez Briones, Jaques Rieumont |
description | 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. |
doi_str_mv | 10.1016/j.polymer.2004.01.022 |
format | article |
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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 |
title | TOPS-MODE approach to predict mutagenicity in dental monomers |
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