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A supervised machine learning tool to predict the bactericidal efficiency of nanostructured surface

Chen, Yaxi; Chen, Hongyi; Harker, Anthony; Liu, Yuanchang; Huang, Jie; (2024) A supervised machine learning tool to predict the bactericidal efficiency of nanostructured surface. Journal of Nanobiotechnology , 22 (1) , Article 748. 10.1186/s12951-024-02974-8. Green open access

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Abstract

The emergence and rapid spread of multidrug-resistant bacterial strains is a growing concern of public health. Inspired by the natural bactericidal surfaces of lotus leaves and shark skin, increasing attention has been focused on the use of mechano-bactericidal methods to create surfaces with antibacterial and/or bactericidal effects. There have been several studies exploring the bactericidal effect of nanostructured surfaces under various combinations of parameters. However, the correlation and synergies between these factors still need to be clarified. Recently machine learning (ML), which enables prediction or decision-making based on data, has been used in the field of biomaterials with promising results. In this study, we explored ML in nanotechnology to investigate the antimicrobial potential of nanostructured surfaces. A dataset of nanostructured surfaces and their antimicrobial properties was built by extracting the published literature. Based on the literature review and the distribution of our dataset, 70% bactericidal efficiency was selected as a practical benchmark for our classification model that balances stringent bactericidal performance with achievable targets in diverse conditions. Subsequently, we developed an ML classification model, which demonstrated an 81% accuracy in its predictive capability. A regression model was further developed to predict the value of bactericidal efficiency for nanostructured surfaces. Feature importance analysis of the ML models suggested that nanotopographical features have a greater influence on bactericidal properties than material properties, thus providing insight into the principles of the mechano-bactericidal effect of nanostructured surfaces. Overall, this ML model tool could help researchers to effectively select and design the parameters of the surface structure prior to experimentation, thereby improving the timeliness and reducing the number of experiments and the associated costs.

Type: Article
Title: A supervised machine learning tool to predict the bactericidal efficiency of nanostructured surface
Location: England
Open access status: An open access version is available from UCL Discovery
DOI: 10.1186/s12951-024-02974-8
Publisher version: https://doi.org/10.1186/s12951-024-02974-8
Language: English
Additional information: This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/.
Keywords: Machine learning, Nanotopography, Mechano-bactericidal activity, Antimicrobial properties
UCL classification: UCL
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Engineering Science > Dept of Computer Science
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Engineering Science > Dept of Mechanical Engineering
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Physics and Astronomy
URI: https://discovery.ucl.ac.uk/id/eprint/10205354
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