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, Jaeyoung Cho, Hojin Jung, Lydia E. Meyer, Gina M. Fioroni, Christopher D. Stubbs, Keunhong Jeong, Robert L. McCormick, Peter C. St. John, Seonah Kim†, Green Chem., 26, 10247 - 10264 (2024)