The research object of chemometrics is the basic theory and methodology of chemical measurement. Its research contents include: statistics and statistical methods; Analytical information theory; Sampling; Test optimization and design; Analytical correction theory; Analytical signal detection and analytical signal processing; Chemical pattern recognition; Image analysis; Study on structure-activity relationship; Artificial intelligence and expert system; Artificial neural network and adaptive chemical pattern recognition: library retrieval, etc.
Its task is to study the theory and methodology of chemical measurement, apply the methods and means of mathematics, statistics, information theory and computer science, scientifically design chemical experiments, choose the best measurement method, obtain the useful characteristic data of the system most effectively, and extract the qualitative, quantitative, morphological and structural information of related substances to the maximum extent through the analysis of the measurement data. It is a developing new discipline, and its main research contents include statistics and statistical methods, calibration theory, model estimation and parameter estimation, experimental design and optimization methods, analytical signal processing, chemical pattern recognition, quantitative structure-activity relationship, artificial intelligence and expert system, software and library retrieval, etc.