The identification of geochemical anomalies in oil and gas indicators is a fundamental task in oil and gas exploration, as the process of oil and gas accumulation is a low probability event. Machine learning algorithms for anomaly detection are applicable to the identification of oil and gas geochemical anomalies related to oil and gas accumulation. However, when using oil and gas indicators for anomaly detection, the diversity of these indicators often leads to the influence of the indicator redundancy on the identification of such features. Therefore, it is particularly important to select appropriate oil and gas indicators for anomaly detection. In this study, a hybrid model combining unsupervised machine learning methods and singularity analysis methods was used to evaluate oil and gas indicator anomalies using geochemical data from the Taiwan Strait Basin. The models used in this study include the singularity index model (LSP), the principal component model combined with the singularity index model (PCA and LSP), and the cluster analysis combined with the principal component model and the singularity index model (CLA-PCA-LSP). PCA models can reduce the dimensions of the data and retain as much information as possible. CLA divides data samples into different groups, so that samples within the same group are more similar and samples between different groups are less similar. LSP is mainly used for measuring the setting and singular degree of local anomalies in multi-scale geochemistry, geophysics, and other types of local anomalies, and it has a unique advantage in extracting low and weak anomalies and nonlinear characteristics. The results of the study show that the results obtained using the CLA-PCA-LSP hybrid model are very similar to those obtained by performing PCA on the entire index and then calculating the singularity index. This also verifies that, for the study areas of the Jiulongjiang Depression and Jinjiang Depression, we can select oil and gas indicators that are favorable for exploration analysis, without including all indicators in the analysis scope, thereby improving the computational efficiency. The application of a singularity analysis method and generalized self-similarity principle in extracting the geochemical information of oil and gas indicators in the Taiwan Strait Basin highlights key technologies such as the identification of weak anomalies, decomposition of composite anomalies, and integration of spatial information. The combination anomalies delineated by the singularity analysis method and S-A method not only reflect the spatial relationship with known oil and gas reservoir distribution, but also show the multiple combination anomalies in unknown areas, providing favorable guidance for the next exploration direction in the Taiwan Strait Basin.