Machine Learning and Big Data Provide Crucial Insight for Future Biomaterials Discovery and Research

计算机科学 机器学习 人工智能 数据科学 多样性(控制论) 领域(数学) 鉴定(生物学) 预测建模 植物 数学 纯数学 生物
作者
Jacob Kerner,Alan B. Dogan,Horst A. von Recum
出处
期刊:Acta Biomaterialia [Elsevier BV]
卷期号:130: 54-65 被引量:104
标识
DOI:10.1016/j.actbio.2021.05.053
摘要

Machine learning have been widely adopted in a variety of fields including engineering, science, and medicine revolutionizing how data is collected, used, and stored. Their implementation has led to a drastic increase in the number of computational models for the prediction of various numerical, categorical, or association events given input variables. We aim to examine recent advances in the use of machine learning when applied to the biomaterial field. Specifically, quantitative structure properties relationships offer the unique ability to correlate microscale molecular descriptors to larger macroscale material properties. These new models can be broken down further into four categories: regression, classification, association, and clustering. We examine recent approaches and new uses of machine learning in the three major categories of biomaterials: metals, polymers, and ceramics for rapid property prediction and trend identification. While current research is promising, limitations in the form of lack of standardized reporting and available databases complicates the implementation of described models. Herein, we hope to provide a snapshot of the current state of the field and a beginner's guide to navigating the intersection of biomaterials research and machine learning. Machine learning and its methods have found a variety of uses beyond the field of computer science but have largely been neglected by those in realm of biomaterials. Through the use of more computational methods, biomaterials development can be expediated while reducing the need for standard trial and error methods. Within, we introduce four basic models that readers can potentially apply to their current research as well as current applications within the field. Furthermore, we hope that this article may act as a “call to action” for readers to realize and address the current lack of implementation within the biomaterials field.
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