Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5191708 | Polymer | 2005 | 8 Pages |
Abstract
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.
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Physical Sciences and Engineering
Chemistry
Organic Chemistry
Authors
Maykel Pérez González, Maria del Carmen Teran Moldes, Yagamare Fall, Luiz Carlos Dias, Aliuska Morales Helguera,