Predict Ionization Energy of Molecules Using Conventional and Graph-Based Machine Learning Models
Author:
Affiliation:
1. Hefei National Research Center for Physical Sciences at the Microscale, University of Science and Technology of China, Hefei, Anhui230026, China
Funder
National Natural Science Foundation of China
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.2c01321
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