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Prediction of Serum Adsorption onto Polymer Brush Films by Machine Learning.
- Source :
-
ACS biomaterials science & engineering [ACS Biomater Sci Eng] 2022 Sep 12; Vol. 8 (9), pp. 3765-3772. Date of Electronic Publication: 2022 Jul 29. - Publication Year :
- 2022
-
Abstract
- Using machine learning based on a random forest (RF) regression algorithm, we attempted to predict the amount of adsorbed serum protein on polymer brush films from the films' physicochemical information and the monomers' chemical structures constituting the films using a RF model. After the training of the RF model using the data of polymer brush films synthesized from five different types of monomers, the model became capable of predicting the amount of adsorbed protein from the chemical structure, physicochemical properties of monomer molecules, and structural parameters (density and thickness of the films). The analysis of the trained RF quantitatively provided the importance of each structural parameter and physicochemical properties of monomers toward serum protein adsorption (SPA). The ranking for the significance of the parameters agrees with our general understanding and perception. Based on the results, we discuss the correlation between brush film's physical properties (such as thickness and density) and SPA and attempt to provide a guideline for the design of antibiofouling polymer brush films.
- Subjects :
- Adsorption
Machine Learning
Surface Properties
Blood Proteins
Polymers
Subjects
Details
- Language :
- English
- ISSN :
- 2373-9878
- Volume :
- 8
- Issue :
- 9
- Database :
- MEDLINE
- Journal :
- ACS biomaterials science & engineering
- Publication Type :
- Academic Journal
- Accession number :
- 35905395
- Full Text :
- https://doi.org/10.1021/acsbiomaterials.2c00441