Crystallography Open Database (COD): an open-access collection of crystal structures and platform for world-wide collaboration. - Saulius Grazulis; Adriana Daskevic; Andrius Merkys; Daniel Chateigner; Luca Lutterotti; Miguel Quirós; Nadezhda R. Serebryanaya; Peter Moeck; Robert T. Downs; Armel Le Bail (Nucleic Acids Res., 2012)

Using SMILES strings for the description of chemical connectivity in the Crystallography Open Database. - Miguel Quirós; Saulius Grazulis; Saule Girdzijauskaite; Andrius Merkys; Antanas Vaitkus (J. Cheminformatics, 2018)

Graph isomorphism-based algorithm for cross-checking chemical and crystallographic descriptions. - Andrius Merkys; Antanas Vaitkus; Algirdas Grybauskas; Aleksandras Konovalovas; Miguel Quirós; Saulius Grazulis (J. Cheminformatics, 2023)

A workflow for deriving chemical entities from crystallographic data and its application to the Crystallography Open Database. - Antanas Vaitkus; Andrius Merkys; Thomas Sander; Miguel Quirós; Paul A. Thiessen; Evan E. Bolton; Saulius Grazulis (J. Cheminformatics, 2023)