Role of Artificial Intelligence and Machine Learning in Nanosafety

被引:81
|
作者
Winkler, David A. [1 ,2 ,3 ,4 ]
机构
[1] La Trobe Univ, La Trobe Inst Mol Sci, Kingsbury Dr, Bundoora, Vic 3042, Australia
[2] CSIRO Data61, 1 Technol Court, Pullenvale 4069, Australia
[3] Univ Nottingham, Sch Pharm, Nottingham NG7 2QL, England
[4] Monash Univ, Monash Inst Pharmaceut Sci, 392 Royal Parade, Parkville, Vic 3052, Australia
关键词
adverse biological effects; artificial intelligence; deep learning; machine learning; nanomaterials; safe-by-design; METAL-OXIDE NANOPARTICLES; TABLE-BASED DESCRIPTORS; NANOMATERIAL TOXICITY; ZNO NANOPARTICLES; PROTEIN CORONA; QSAR; CLASSIFICATION; CYTOTOXICITY; DESIGN; CDSE;
D O I
10.1002/smll.202001883
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Robotics and automation provide potentially paradigm shifting improvements in the way materials are synthesized and characterized, generating large, complex data sets that are ideal for modeling and analysis by modern machine learning (ML) methods. Nanomaterials have not yet fully captured the benefits of automation, so lag behind in the application of ML methods of data analysis. Here, some key developments in, and roadblocks to the application of ML methods are reviewed to model and predict potentially adverse biological and environmental effects of nanomaterials. This work focuses on the diverse ways a range of ML algorithms are applied to understand and predict nanomaterials properties, provides examples of the application of traditional ML and deep learning methods to nanosafety, and provides context and future perspectives on developments that are likely to occur, or need to occur in the near future that allow artificial intelligence to make a deeper contribution to nanosafety.
引用
收藏
页数:13
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