Vaitkus, A., Merkys, A., Sander, T., Quirós, M., Thiessen, P. A., Bolton, E. E. & Gražulis, S. (2023). A workflow for deriving chemical entities from crystallographic data and its application to the Crystallography Open Database. Journal of Cheminformatics, 15(1). https://doi.org/10.1186/s13321-023-00780-2.