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| Indexado |
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| DOI | 10.1155/2016/6273414 | ||
| Año | 2016 | ||
| Tipo |
Citas Totales
Autores Afiliación Chile
Instituciones Chile
% Participación
Internacional
Autores
Afiliación Extranjera
Instituciones
Extranjeras
Prediction of the dynamic properties of water uptake across polymer libraries can accelerate polymer selection for a specific application. We first built semiempirical models using Artificial Neural Networks and all water uptake data, as individual input. These models give very good correlations (R2>0.78 for test set) but very low accuracy on cross-validation sets (less than 19% of experimental points within experimental error). Instead, using consolidated parameters like equilibrium water uptake a good model is obtained (R2=0.78 for test set), with accurate predictions for 50% of tested polymers. The semiempirical model was applied to the 56-polymer library of L-tyrosine-derived polyarylates, identifying groups of polymers that are likely to satisfy design criteria for water uptake. This research demonstrates that a surrogate modeling effort can reduce the number of polymers that must be synthesized and characterized to identify an appropriate polymer that meets certain performance criteria.
| Ord. | Autor | Género | Institución - País |
|---|---|---|---|
| 1 | Valenzuela, Loreto M. | Mujer |
Pontificia Universidad Católica de Chile - Chile
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| 2 | Knight, Doyle D. | Hombre |
Rutgers University–New Brunswick - Estados Unidos
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| 3 | Kohn, Joachim | Hombre |
The New Jersey Center for Biomaterials - Estados Unidos
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| Fuente |
|---|
| Fondo Nacional de Desarrollo Científico y Tecnológico |
| Comisión Nacional de Investigación Científica y Tecnológica |
| National Institutes of Health |
| Comisión Nacional de Investigación CientÃfica y Tecnológica |
| Fondo Nacional de Desarrollo CientÃfico y Tecnológico |
| National Institute of Biomedical Imaging and Bioengineering |
| National Center on Minority Health and Health Disparities |