Diagnostics of Data-Driven Models: Uncertainty Quantification of PM7 Semi-Empirical Quantum Chemical Method
数据驱动模型的诊断：PM7半经验量子化学方法的不确定性量化
期刊:Scientific Reports
影响因子:3.9
doi:10.1038/s41598-018-31677-y
Oreluk, James; Liu, Zhenyuan; Hegde, Arun; Li, Wenyu; Packard, Andrew; Frenklach, Michael; Zubarev, Dmitry
