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Materials Data Science Ontology(Mds-Onto): Unifying Domain Knowledge In Materials And Applied Data Science, Balashanmuga Priyan Rajamohan, Alexander C. Harding Bradley, Van D. Tran, Jonathan E. Gordon, Hayden W. Caldwell, Redad Mehdi, Gabriel Ponon, Quynh D. Tran, Ozan Dernek, Benjamin G. Pierce, Raymond Wieser, Weiqi Yue, Kiefer Lin, Jiana Kambo, Arafath Nihar, Pawan K. Tripathi, Yinghui Wu, Laura S. Bruckman, Erika I. Barcelos, Roger H. French Apr 2025

Materials Data Science Ontology(Mds-Onto): Unifying Domain Knowledge In Materials And Applied Data Science, Balashanmuga Priyan Rajamohan, Alexander C. Harding Bradley, Van D. Tran, Jonathan E. Gordon, Hayden W. Caldwell, Redad Mehdi, Gabriel Ponon, Quynh D. Tran, Ozan Dernek, Benjamin G. Pierce, Raymond Wieser, Weiqi Yue, Kiefer Lin, Jiana Kambo, Arafath Nihar, Pawan K. Tripathi, Yinghui Wu, Laura S. Bruckman, Erika I. Barcelos, Roger H. French

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Ontologies have gained popularity in the scientific community as a way to standardize terminologies in organizations’ data. Although certain cohorts have created frameworks with rules and guidelines on creating ontologies, there exist significant variations in how Materials Science ontologies are currently developed. We seek to provide guidance in the form of a unified automated framework for developing interoperable and modular ontologies for Materials Data Science that simplifies the ontology terms matching by establishing a semantic bridge up to the Basic Formal Ontology(BFO). This framework provides key recommendations on how ontologies should be positioned within the semantic web, what knowledge representation …