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Application of Machine Learning in Nanotoxicology: A Critical Review and Perspective

Environmental Science & Technology 2024 20 citations ? Citation count from OpenAlex, updated daily. May differ slightly from the publisher's own count. Score: 65 ? 0–100 AI score estimating relevance to the microplastics field. Papers below 30 are filtered from public browse.
Iseult Lynch Willie J.G.M. Peijnenburg, Xiaoli Zhao, Willie J.G.M. Peijnenburg, Xiaoli Zhao, Xiaoli Zhao, Iseult Lynch Xiaoli Zhao, Willie J.G.M. Peijnenburg, Zhenyu Wang, Xiaoli Zhao, Kmy Leung, Xiaoli Zhao, Martina G. Vijver, Xiaoli Zhao, Xiaoli Zhao, Yunchi Zhou, Xiaoli Zhao, Martina G. Vijver, Zhenyu Wang, Martina G. Vijver, Willie J.G.M. Peijnenburg, Xiaoli Zhao, Willie J.G.M. Peijnenburg, Martina G. Vijver, Xiaoli Zhao, Martina G. Vijver, Xiaoli Zhao, Ying Wang, Iseult Lynch Martina G. Vijver, Iseult Lynch Martina G. Vijver, Martina G. Vijver, Iseult Lynch Xiaoli Zhao, Xiaoli Zhao, Xiaoli Zhao, Iseult Lynch Iseult Lynch Xiaoli Zhao, Xiaoli Zhao, Iseult Lynch Xiaoli Zhao, Xiaoli Zhao, Xiaoli Zhao, Xiaoli Zhao, Xiaoli Zhao, Martina G. Vijver, Xiaoli Zhao, Xiaoli Zhao, Martina G. Vijver, Iseult Lynch Martina G. Vijver, Zhenyu Wang, Xiaoli Zhao, Willie J.G.M. Peijnenburg, Martina G. Vijver, Willie J.G.M. Peijnenburg, Martina G. Vijver, Willie J.G.M. Peijnenburg, Willie J.G.M. Peijnenburg, Martina G. Vijver, Iseult Lynch Martina G. Vijver, Martina G. Vijver, Martina G. Vijver, Willie J.G.M. Peijnenburg, Martina G. Vijver, Martina G. Vijver, Iseult Lynch Iseult Lynch Fengchang Wu, Fengchang Wu, Zhenyu Wang, Fengchang Wu, Zhenyu Wang, Willie J.G.M. Peijnenburg, Willie J.G.M. Peijnenburg, Willie J.G.M. Peijnenburg, Xiaoli Zhao, Ying Wang, Willie J.G.M. Peijnenburg, Iseult Lynch Kmy Leung, Iseult Lynch Wenhong Fan, Willie J.G.M. Peijnenburg, Willie J.G.M. Peijnenburg, Iseult Lynch Xiaoli Zhao, Zhenyu Wang, Iseult Lynch Iseult Lynch Iseult Lynch Zhenyu Wang, Martina G. Vijver, Martina G. Vijver, Iseult Lynch Xiaoli Zhao, Martina G. Vijver, Willie J.G.M. Peijnenburg, Xiaoli Zhao, Xiaoli Zhao, Martina G. Vijver, Iseult Lynch Willie J.G.M. Peijnenburg, Willie J.G.M. Peijnenburg, Willie J.G.M. Peijnenburg, Willie J.G.M. Peijnenburg, Willie J.G.M. Peijnenburg, Iseult Lynch Iseult Lynch Iseult Lynch Iseult Lynch Willie J.G.M. Peijnenburg, Willie J.G.M. Peijnenburg, Kmy Leung, Kmy Leung, Kmy Leung, Willie J.G.M. Peijnenburg, Willie J.G.M. Peijnenburg, Willie J.G.M. Peijnenburg, Zhenyu Wang, Willie J.G.M. Peijnenburg, Martina G. Vijver, Martina G. Vijver, Martina G. Vijver, Martina G. Vijver, Martina G. Vijver, Martina G. Vijver, Martina G. Vijver, Xiaoli Zhao, Xiaoli Zhao, Xiaoli Zhao, Zhenyu Wang, Xiaoli Zhao, Xiaoli Zhao, Fengchang Wu, Willie J.G.M. Peijnenburg, Fengchang Wu, Zhenyu Wang, Willie J.G.M. Peijnenburg, Fengchang Wu, Willie J.G.M. Peijnenburg, Fengchang Wu, Willie J.G.M. Peijnenburg, Iseult Lynch Willie J.G.M. Peijnenburg, Iseult Lynch Zhenyu Wang, Zhenyu Wang, Iseult Lynch Surendra Balraadjsing, Iseult Lynch Willie J.G.M. Peijnenburg, Zhenyu Wang, Willie J.G.M. Peijnenburg, Willie J.G.M. Peijnenburg, Iseult Lynch Willie J.G.M. Peijnenburg, Iseult Lynch Iseult Lynch Fengchang Wu, Fengchang Wu, Zhenyu Wang, Iseult Lynch Xiaoli Zhao, Martina G. Vijver, Martina G. Vijver, Willie J.G.M. Peijnenburg, Zhenyu Wang, Willie J.G.M. Peijnenburg, Fengchang Wu, Martina G. Vijver, Martina G. Vijver, Martina G. Vijver, Martina G. Vijver, Zhenyu Wang, Martina G. Vijver, Xiaoli Zhao, Martina G. Vijver, Martina G. Vijver, Iseult Lynch Martina G. Vijver, Willie J.G.M. Peijnenburg, Xiaoli Zhao, Iseult Lynch Martina G. Vijver, Zhenyu Wang, Willie J.G.M. Peijnenburg, Willie J.G.M. Peijnenburg, Kmy Leung, Iseult Lynch Xiaoli Zhao, Zhenyu Wang, Zhenyu Wang, Zhenyu Wang, Willie J.G.M. Peijnenburg, Willie J.G.M. Peijnenburg, Willie J.G.M. Peijnenburg, Zhenyu Wang, Wenhong Fan, Kmy Leung, Xiaoli Zhao, Kmy Leung, Kmy Leung, Zhaomin Dong, Xiaoli Zhao, Willie J.G.M. Peijnenburg, Willie J.G.M. Peijnenburg, Willie J.G.M. Peijnenburg, Willie J.G.M. Peijnenburg, Willie J.G.M. Peijnenburg, Willie J.G.M. Peijnenburg, Fengchang Wu, Zhenyu Wang, Zhenyu Wang, Fengchang Wu, Fengchang Wu, Iseult Lynch Fengchang Wu, Iseult Lynch Fengchang Wu, Zhenyu Wang, Zhenyu Wang, Martina G. Vijver, Xiaoli Zhao, Martina G. Vijver, Fengchang Wu, Zhenyu Wang, Fengchang Wu, Zhenyu Wang, Zhenyu Wang, Martina G. Vijver, Willie J.G.M. Peijnenburg, Willie J.G.M. Peijnenburg, Willie J.G.M. Peijnenburg, Willie J.G.M. Peijnenburg, Willie J.G.M. Peijnenburg, Willie J.G.M. Peijnenburg, Martina G. Vijver, Martina G. Vijver, Martina G. Vijver, Martina G. Vijver, Martina G. Vijver, Martina G. Vijver, Xiaoli Zhao, Xiaoli Zhao, Xiaoli Zhao, Xiaoli Zhao, Fengchang Wu, Fengchang Wu, Fengchang Wu, Fengchang Wu, Iseult Lynch Iseult Lynch Iseult Lynch Iseult Lynch Iseult Lynch Iseult Lynch Iseult Lynch Iseult Lynch Iseult Lynch Iseult Lynch Iseult Lynch Zhenyu Wang, Zhenyu Wang, Zhenyu Wang, Zhenyu Wang, Kmy Leung, Kmy Leung, Kmy Leung, Kmy Leung, Antreas Afantitis, Zhaomin Dong, Zhaomin Dong, Martina G. Vijver, Iseult Lynch Xiaoli Zhao, Zhenyu Wang, Willie J.G.M. Peijnenburg, Willie J.G.M. Peijnenburg, Zhenyu Wang, Iseult Lynch Zhenyu Wang, Kmy Leung, Iseult Lynch Martina G. Vijver, Iseult Lynch Iseult Lynch Iseult Lynch Willie J.G.M. Peijnenburg, Willie J.G.M. Peijnenburg, Yunsong Mu, Fengchang Wu, Kmy Leung, Zhenyu Wang, Willie J.G.M. Peijnenburg, Willie J.G.M. Peijnenburg, Iseult Lynch Zhenyu Wang, Iseult Lynch Wenhong Fan, Willie J.G.M. Peijnenburg, Willie J.G.M. Peijnenburg, Fengchang Wu, Kmy Leung, Holly M. Mortensen, Kmy Leung, Iseult Lynch Willie J.G.M. Peijnenburg, Fengchang Wu, Fengchang Wu, Willie J.G.M. Peijnenburg, Willie J.G.M. Peijnenburg, Xiaoli Zhao, Willie J.G.M. Peijnenburg, Zhenyu Wang, Martina G. Vijver, Martina G. Vijver, Kmy Leung, Willie J.G.M. Peijnenburg, Zhenyu Wang, Fengchang Wu, Willie J.G.M. Peijnenburg, Iseult Lynch Zhenyu Wang, Zhenyu Wang, Fengchang Wu, Willie J.G.M. Peijnenburg, Antreas Afantitis, Martina G. Vijver, Willie J.G.M. Peijnenburg, Martina G. Vijver, Fengchang Wu, Zhenyu Wang, Fengchang Wu, Fengchang Wu, Xiaoli Zhao, Martina G. Vijver, Martina G. Vijver, Willie J.G.M. Peijnenburg, Kmy Leung, Kmy Leung, Iseult Lynch Iseult Lynch Iseult Lynch Iseult Lynch Willie J.G.M. Peijnenburg, Xiaoli Zhao, Fengchang Wu, Antreas Afantitis, Willie J.G.M. Peijnenburg, Willie J.G.M. Peijnenburg, Iseult Lynch Fengchang Wu, Iseult Lynch Yunsong Mu, Zhenyu Wang, Kmy Leung, Willie J.G.M. Peijnenburg, Iseult Lynch Fengchang Wu, Antreas Afantitis, Iseult Lynch Martina G. Vijver, Kmy Leung, Martina G. Vijver, Wenhong Fan, Iseult Lynch Iseult Lynch Iseult Lynch Iseult Lynch Iseult Lynch Iseult Lynch Iseult Lynch Kmy Leung, Iseult Lynch

Summary

This review evaluates how machine learning and artificial intelligence are being used to predict the toxic effects of nanomaterials, including nanoplastics, on human health and the environment. These computational tools can help screen thousands of materials for potential hazards much faster than traditional lab experiments, though the authors note that better data quality and standardized methods are still needed.

The massive production and application of nanomaterials (NMs) have raised concerns about the potential adverse effects of NMs on human health and the environment. Evaluating the adverse effects of NMs by laboratory methods is expensive, time-consuming, and often fails to keep pace with the invention of new materials. Therefore, <i>in silico</i> methods that utilize machine learning techniques to predict the toxicity potentials of NMs are a promising alternative approach if regulatory confidence in them can be enhanced. Previous reviews and regulatory OECD guidance documents have discussed in detail how to build an <i>in silico</i> predictive model for NMs. Nevertheless, there is still room for improvement in addressing the ways to enhance the model representativeness and performance from different angles, such as data set curation, descriptor selection, task type (classification/regression), algorithm choice, and model evaluation (internal and external validation, applicability domain, and mechanistic interpretation, which is key to ensuring stakeholder confidence). This review explores how to build better predictive models; the current state of the art is analyzed via a statistical evaluation of literature, while the challenges faced and future perspectives are summarized. Moreover, a recommended workflow and best practices are provided to help in developing more predictive, reliable, and interpretable models that can assist risk assessment as well as safe-by-design development of NMs.

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