Please use this identifier to cite or link to this item: https://hdl.handle.net/11147/14120
Title: Identifying factors controlling cellular uptake of gold nanoparticles by machine learning
Authors: Bilgi, Eyüp
Winkler, David A.
Öksel Karakuş, Ceyda
Keywords: Machine learning
gold nanoparticles
cellular uptake
ICP
medical applications
Dendritic Cells
Particle-Size
Surface
Shape
Prediction
Toxicity
Delivery
Nano
Publisher: TAYLOR & FRANCIS LTD
Abstract: There is strong interest to improve the therapeutic potential of gold nanoparticles (GNPs) while ensuring their safe development. The utility of GNPs in medicine requires a molecular-level understanding of how GNPs interact with biological systems. Despite considerable research efforts devoted to monitoring the internalisation of GNPs, there is still insufficient understanding of the factors responsible for the variability in GNP uptake in different cell types. Data-driven models are useful for identifying the sources of this variability. Here, we trained multiple machine learning models on 2077 data points for 193 individual nanoparticles from 59 independent studies to predict cellular uptake level of GNPs and compared different algorithms for their efficacies of prediction. The five ensemble learners (Xgboost, random forest, bootstrap aggregation, gradient boosting, light gradient boosting machine) made the best predictions of GNP uptake, accounting for 80-90% of the variance in the test data. The models identified particle size, zeta potential, GNP concentration and exposure duration as the most important drivers of cellular uptake. We expect this proof-of-concept study will foster the more effective use of accumulated cellular uptake data for GNPs and minimise any methodological bias in individual studies that may lead to under- or over-estimation of cellular internalisation rates.
URI: https://doi.org/10.1080/1061186X.2023.2288995
https://hdl.handle.net/11147/14120
ISSN: 1061-186X
1029-2330
Appears in Collections:PubMed İndeksli Yayınlar Koleksiyonu / PubMed Indexed Publications Collection
Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection

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