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Hydrocarbon source rocks are rich in organic matter, and studying their spatial distribution is crucial for advancing deep oil and gas exploration. Key evaluation indices for hydrocarbon source rocks include Total Organic Carbon (TOC) content, specular body reflectance, and pyrolysis parameters. Traditionally, TOC has been measured as discrete points in the laboratory through geochemical methods, and the continuous TOC curve is typically derived using multi-parameter regression. However, this approach is limited to 1D well data and is not suitable for 3D spatial predictions of hydrocarbon source rocks. In this research, we developed a TOC prediction process for hydrocarbon source rocks based on the LightGBM algorithm, incorporating feature engineering, model interpretation, and evaluation. The reliability of this method was validated by comparing prediction accuracies. Field data test results demonstrate that the TOC predictions based on LightGBM exhibit high reliability, providing valuable data support for oil and gas exploration.