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Developing a Suitable Model for Water Uptake for Biodegradable Polymers Using Small Training Sets
Joint Authors
Valenzuela, Loreto M.
Knight, Doyle D.
Kohn, Joachim
Source
International Journal of Biomaterials
Issue
Vol. 2016, Issue 2016 (31 Dec. 2016), pp.1-10, 10 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2016-04-21
Country of Publication
Egypt
No. of Pages
10
Main Subjects
Abstract EN
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.
American Psychological Association (APA)
Valenzuela, Loreto M.& Knight, Doyle D.& Kohn, Joachim. 2016. Developing a Suitable Model for Water Uptake for Biodegradable Polymers Using Small Training Sets. International Journal of Biomaterials،Vol. 2016, no. 2016, pp.1-10.
https://search.emarefa.net/detail/BIM-1105465
Modern Language Association (MLA)
Valenzuela, Loreto M.…[et al.]. Developing a Suitable Model for Water Uptake for Biodegradable Polymers Using Small Training Sets. International Journal of Biomaterials No. 2016 (2016), pp.1-10.
https://search.emarefa.net/detail/BIM-1105465
American Medical Association (AMA)
Valenzuela, Loreto M.& Knight, Doyle D.& Kohn, Joachim. Developing a Suitable Model for Water Uptake for Biodegradable Polymers Using Small Training Sets. International Journal of Biomaterials. 2016. Vol. 2016, no. 2016, pp.1-10.
https://search.emarefa.net/detail/BIM-1105465
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-1105465