In the past ten years,chemometric methods and analytical techniques have been combined to characterize and identify samples,resulting in some strong representative sample detection methods with large amount of information.These new technologies and mathematical/statistical methods could be used in the identification and processing of forensic cases to obtain statistical credibility results,thereby contributing to the breakthrough of forensic cases.The methods of multivariate analysis used in the detection of toxic chemicals were discussed in detail,and their advantages and disadvantages were compared and summarized.Meanwhile,the future development and application of chemometrics in chemical attribution of toxic chemicals were prospected.