Automated rational design of metal-organic polyhedra

• Main Authors: Kondinski, Aleksandar, Menon, Angiras, Nurkowski, Daniel, Farazi, Feroz, Mosbach, Sebastian, Akroyd, Jethro, Kraft, Markus
• Other Authors: School of Chemical and Biomedical Engineering
• Format: Article
• Language: English
• Published: 2022
• Subjects: Engineering::Chemical engineering; Reticular Chemistry; Knowledge Graph
• Online Access: https://hdl.handle.net/10356/163532
• Institution: Nanyang Technological University

Metal-organic polyhedra (MOPs) are hybrid organic-inorganic nanomolecules, whose rational design depends on harmonious consideration of chemical complementarity and spatial compatibility between two or more types of chemical building units (CBUs). In this work, we apply knowledge engineering technol...