[3] It serves as a chemical expert system, widely used in fields such as cheminformatics, molecular modelling, and computational chemistry.

Open Babel provides both a comprehensive library and command-line utilities, making it a versatile tool for researchers, developers, and professionals.

[4] Due to the strong relationship to informatics this program belongs more to the category cheminformatics than to molecular modelling.

The project's stated goal is: "Open Babel is a community-driven scientific project assisting both users and developers as a cross-platform program and library designed to support molecular modeling, chemistry, and many related areas, including interconversion of file formats and data."

These functionalities enable similarity analysis, dataset clustering, and efficient organization of chemical libraries, making it suitable for large-scale workflows.