Efficient chemical classification is essential for managing large datasets in research.

This paper presents an automated approach for classifying chemical compounds using a chemical ontology designed to improve the organization and retrieval of chemical data. By employing structure-based reasoning and SMARTS logic expressions, the system automatically assigns compounds to hierarchical chemical classes, bypassing the need for manual classification. This automated method allows for more precise, efficient categorization of compounds within databases or text documents, supporting applications like data mining and structure-activity relationship discovery in chemical research.