Lung cancer is the leading cause of cancer death worldwide. About 2.1 million lung cancer patients were diagnosed in 2018, accounting for about 11.6% of all newly diagnosed cancer cases. For lung cancer, blood is the first choice as a source of screening biomarker candidates. Blood biomarkers provide a snapshot of the patient's entire body, including the primary tumor, metastatic disease, immune response, and peritumoral stroma. However, sputum sampling, bronchial lavage or aspiration, exhaled breath (EB), and airway epithelial sampling represent unique samples for lung cancer and other airway cancers as potential sources for alternative biomarkers. Metabolites are products of cell metabolism that are unique biomarkers in a disease. In this article, we aim to find metabolite biomarkers using machine learning. Metabolite data were obtained from Metabolomic workbench, while detection and identification were performed in silico. From 82 samples, controls and cancers, we found 158 metabolites and analyzed them. From the analysis, we found 3 metabolites that play an important role in lung cancer and found 1 metabolite that is the most influential. From there we found that glutamic acid is one of the best biomarker candidates we provide for detecting lung cancer. However, this simulation still needs to be improved in order to find other biomarkers that can provide a better detection of lung cancer