Searching method for metabolite discovery

The invention relates to a search method for metabolite discovery, which comprises a training part and a reasoning part, the training part comprises the following steps: presetting a search model, giving a minimum search peak threshold value, constructing a preset number of candidate compound sets to form an initial total amount, giving mass spectrum data f, sorting the peak values from high to low, taking data which does not cover the highest peak value of the mass spectrum data f as input data of the search model, and searching a target compound in the initial total amount, and correcting the weight of the search model according to the relationship between the searched target compound and the minimum search peak threshold to obtain an optimized search model. The reasoning part comprises the step of searching mass spectrum data in a compound database by using the optimized search model. According to the searching method for metabolite discovery, the weight adjusting capacity is achieved, the searching result