In this study, we aimed to (1) identify the potential VOCs as biomarkers for HCC diagnosis using the AI algorithm, (2) investigate the diagnostic performance of VOCs in comparison to AFP, (3) assess the feasibility of utilizing VOCs for HCC treatment monitoring, and (4) determine an association between the survival of HCC patients and VOCs profile to explore the potential role of VOCs as prognostic biomarkers. This evidence concerns the gene AFP and hepatocellular carcinoma.