Machine learning with persistent homology and chemical word embeddings improves prediction accuracy and interpretability in metal-organic frameworks
结合持久同源性和化学词嵌入的机器学习方法提高了金属有机框架的预测精度和可解释性。
期刊:Scientific Reports
影响因子:3.9
doi:10.1038/s41598-021-88027-8
Krishnapriyan, Aditi S; Montoya, Joseph; Haranczyk, Maciej; Hummelshøj, Jens; Morozov, Dmitriy
