Evaluating the generalizability of graph neural networks for predicting collision cross section
评估图神经网络在预测碰撞截面方面的泛化能力
期刊:Journal of Cheminformatics
影响因子:5.7
doi:10.1186/s13321-024-00899-w
Engler Hart, Chloe; Preto, António José; Chanana, Shaurya; Healey, David; Kind, Tobias; Domingo-Fernández, Daniel
