The Rise of Machine Learning in Polymer Discovery

In the recent decades, with rapid development in computing power and algorithms, machine learning (ML) has exhibited its enormous potential in new polymer discovery. Herein, the history of ML is described and the basic process of ML accelerated polymer discovery is summarized. Next, the four steps i...

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Bibliographic Details
Main Authors: Cheng Yan, Guoqiang Li
Format: Article
Language:English
Published: Wiley 2023-04-01
Series:Advanced Intelligent Systems
Subjects:
Online Access:https://doi.org/10.1002/aisy.202200243
Description
Summary:In the recent decades, with rapid development in computing power and algorithms, machine learning (ML) has exhibited its enormous potential in new polymer discovery. Herein, the history of ML is described and the basic process of ML accelerated polymer discovery is summarized. Next, the four steps in this process are reviewed, that is, dataset selection, fingerprinting, ML framework, and new polymer generation. Finally, a couple of main challenges for ML accelerated polymer discovery is presented and the outlooks in this field are prospected. It is expected that this review can service as a useful tool for the people who just step into this field and deepen the understanding for the people who are already in this field.
ISSN:2640-4567