Accelerating Polymer Discovery with Uncertainty-Guided PGCNN: Explainable AI for Predicting Properties and Mechanistic Insights-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Accelerating Polymer Discovery with Uncertainty-Guided PGCNN: Explainable AI for Predicting Properties and Mechanistic Insights

Published:2024-07-02 Issue:14 Volume:64 Page:5500-5509
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Wang Shuyu¹^ORCID,Yue Hongxing¹^ORCID,Yuan Xiaoming²

Affiliation:

1. Department of Control Engineering, Northeastern University at Qinhuangdao, Qinhuangdao, Hebei 066000, China

2. Xiaoming Yuan − Department of Computer Science and Engineering, Northeastern University at Qinhuangdao, Qinhuangdao, Hebei 066000, China

Funder

Natural Science Foundation of Hebei Province

National Natural Science Foundation of China

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.4c00555

Reference37 articles.

1. Machine-learning-assisted discovery of polymers with high thermal conductivity using a molecular design algorithm

2. High-Throughput Screening and Prediction of High Modulus of Resilience Polymers Using Explainable Machine Learning

3. A Comprehensive and Versatile Multimodal Deep‐Learning Approach for Predicting Diverse Properties of Advanced Materials

4. Polymer informatics: Current status and critical next steps

5. Polymer informatics with multi-task learning

同舟云学术

1.学者识别学者识别

2.学术分析学术分析

3.人才评估人才评估

"同舟云学术"是以全球学者为主线，采集、加工和组织学术论文而形成的新型学术文献查询和分析系统，可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容，当前同舟云学术共收录了国内外主流学术期刊6万余种，收集的期刊论文及会议论文总量共计约1.5亿篇，并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询！咨询电话：010-8811{复制后删除}0370

www.globalauthorid.com

TOP