Polymer Informatics: Opportunities and Challenges,ACS Macro Letters

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Polymer Informatics: Opportunities and Challenges
ACS Macro Letters ( IF 5.1 ) Pub Date : 2017-09-15 00:00:00 , DOI: 10.1021/acsmacrolett.7b00228
Debra J Audus ₁ , Juan J de Pablo _{2,

3}

Affiliation

We are entering an era where large volumes of scientific data, coupled with algorithmic and computational advances, can reduce both the time and cost of developing new materials. This emerging field known as materials informatics has gained acceptance for a number of classes of materials, including metals and oxides. In the particular case of polymer science, however, there are important challenges that must be addressed before one can start to deploy advanced machine learning approaches for designing new materials. These challenges are primarily related to the manner in which polymeric systems and their properties are reported. In this viewpoint, we discuss the opportunities and challenges for making materials informatics as applied to polymers, or equivalently polymer informatics, a reality.

中文翻译：

高分子信息学：机遇与挑战

我们正在进入一个时代，大量的科学数据加上算法和计算的进步，可以减少开发新材料的时间和成本。这个被称为材料信息学的新兴领域已经获得了包括金属和氧化物在内的多种材料的认可。然而，在聚合物科学的特殊情况下，在开始部署先进的机器学习方法来设计新材料之前，必须解决一些重要的挑战。这些挑战主要与聚合物系统及其性能的报告方式有关。从这个角度来看，我们讨论了将材料信息学应用于聚合物或等效的聚合物信息学成为现实的机遇和挑战。

更新日期：2017-09-15

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