{"id":"doi:10.1021/acs.jcim.4c00555","kind":"article","title":"Accelerating Polymer Discovery with Uncertainty-Guided PGCNN: Explainable AI for Predicting Properties and Mechanistic Insights","authors":["Shuyu Wang","Hongxing Yue","Xiaoming Yuan"],"author_count":3,"year":2024,"published":"2024-07-02","venue":"Journal of Chemical Information and Modeling","cited_by":26,"doi":"10.1021/acs.jcim.4c00555","arxiv_id":null,"nct_id":null,"source_url":"https://doi.org/10.1021/acs.jcim.4c00555","archive_url":"https://space-kitty.com/papers/doi:10.1021/acs.jcim.4c00555","updated":null,"pmid":"38953249","pmcid":null,"openalex_id":"W4400241212","pdf_url":null,"abstract":null,"abstract_license":null,"license":null,"is_open_access":false,"retracted":false,"peer_reviewed":null,"categories":["Machine Learning in Materials Science"],"details":null,"provenance":"openalex","attribution":"Metadata and citation counts: OpenAlex (CC0).","topics":[{"slug":"interpretability","name":"Mechanistic Interpretability","domain_slug":"ai"}],"cited_in_dossiers":[]}