Accelerating Polymer Discovery with Uncertainty-Guided PGCNN: Explainable AI for Predicting Properties and Mechanistic Insights
Shuyu Wang, Hongxing Yue, Xiaoming Yuan
The abstract is not reproduced here because its license does not permit redistribution. Read it at the original source.
Record
- Archive ID
- doi:10.1021/acs.jcim.4c00555
- Published
- Jul 2, 2024
- Venue
- Journal of Chemical Information and Modeling
- DOI
- 10.1021/acs.jcim.4c00555
- PubMed
- 38953249
- Categories
- Machine Learning in Materials Science
- Provenance
- openalex