Nowadays, artificial intelligence model approaches such as machine and deep learning have been widely used to predict variations of water quality in various freshwater bodies. In particular, many researchers have tried to predict the occurrence of cyanobacterial blooms in inland water, which pose a threat to human health and aquatic ecosystems. Therefore, the objective of this study were to: 1) review studies on the application of machine learning models for predicting the occurrence of cyanobacterial blooms and its metabolites and 2) prospect for future study on the prediction of cyanobacteria by machine learning models including deep learning. In this study, a systematic literature search and review were conducted using SCOPUS, which is Elsevier’s abstract and citation database. The key results showed that deep learning models were usually used to predict cyanobacterial cells, while machine learning models focused on predicting cyanobacterial metabolites such as concentrations of microcystin, geosmin, and 2-methylisoborneol (2-MIB) in reservoirs. There was a distinct difference in the use of input variables to predict cyanobacterial cells and metabolites. The application of deep learning models through the construction of big data may be encouraged to build accurate models to predict cyanobacterial metabolites.