This paper aims toward the successful detection of harmful materials in a substance by integrating machine learning (ML) into laser-induced breakdown spectroscopy (LIBS). LIBS is used to distinguish five different synthetic polymers where eight different heavy material contents are also detected by LIBS. Each material intensity-wavelength graph is obtained and the dataset is constructed for classification by a machine learning (ML) algorithm. Seven popular machine learning algorithms are applied to the dataset which include eight different substances with their wavelength-intensity value. Machine learning algorithms are used to train the dataset, results are discussed and which classification algorithm is appropriate for this dataset is determined.