Structural analysis method

The invention relates to a method for carrying out structural analysis on the structure of an unknown chemical compound according to an actually measured spectrum of a sample. The method comprises at least one machine learning model, in particular a first machine learning model that generates a structure of a chemical compound and/or a second machine learning model that generates a predicted spectrum from the structure. 本发明涉及一种根据样品的实测光谱对未知化学化合物的结构进行结构解析的方法。该方法包括至少一个机器学习模型，特别是生成化学化合物的结构的第一机器学习模型和/或根据该结构生成预测光谱的第二机器学习模型。