A topological sub-structural approach to the mutagenic activity in dental monomers. 3. Heterogeneous set of compounds
| Autor: | Aliuska Morales Helguera, Maykel Pérez González, Luiz C. Dias, Yagamare Fall, Maria del Carmen Terán Moldes |
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| Rok vydání: | 2005 |
| Předmět: |
endocrine system
Quantitative structure–activity relationship Polymers and Plastics Chemistry medicine.medical_treatment Organic Chemistry food and beverages Topology Set (abstract data type) chemistry.chemical_compound Monomer Biological property Outlier Materials Chemistry medicine Dental restoration Structural approach |
| Zdroj: | Polymer. 46:2783-2790 |
| ISSN: | 0032-3861 |
| DOI: | 10.1016/j.polymer.2005.01.064 |
| Popis: | The topological sub-structural molecular design (TOPS-MODE) approach has been applied to the study of mutagenic properties in a heterogeneous set of dental monomers. A model able to describe close to 90% of the experimental variance in the values for mutagenic activity of 41 dental monomers through genetic algorithm was developed with the use of the mentioned approach. Also, a study for the determination of the optimal number of variables in the equation and potential outliers was carried out. Finally, the TOPS-MODE approach was used to derive the contribution of different fragments to the mutagenic activity. |
| Databáze: | OpenAIRE |
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