Design Green Chemicals by Predicting Vaporization Properties Using Explainable Graph Attention Networks

Design Green Chemicals by Predicting Vaporization Properties Using Explainable Graph Attention Networks, Yeonjoon Kim, Hojin Jung, Keunhong Jeong, Jaeyoung Cho, Robert L. McCormick, Peter C. St. John, Seonah Kim†, Nature Computational Sciences (Submitted 2023)