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2020 – today
- 2023
[j4]Andrius Merkys
, Antanas Vaitkus, Algirdas Grybauskas, Aleksandras Konovalovas, Miguel Quirós, Saulius Grazulis:
Graph isomorphism-based algorithm for cross-checking chemical and crystallographic descriptions. J. Cheminformatics 15(1): 25 (2023)- [j3]Antanas Vaitkus, Andrius Merkys, Thomas Sander, Miguel Quirós, Paul A. Thiessen, Evan E. Bolton, Saulius Grazulis:
A workflow for deriving chemical entities from crystallographic data and its application to the Crystallography Open Database. J. Cheminformatics 15(1): 123 (2023)
2010 – 2019
- 2018
- [j2]Miguel Quirós, Saulius Grazulis, Saule Girdzijauskaite, Andrius Merkys, Antanas Vaitkus:
Using SMILES strings for the description of chemical connectivity in the Crystallography Open Database. J. Cheminformatics 10(1): 23:1-23:17 (2018) - 2012
- [j1]Saulius Grazulis, Adriana Daskevic, Andrius Merkys, Daniel Chateigner, Luca Lutterotti, Miguel Quirós, Nadezhda R. Serebryanaya, Peter Moeck, Robert T. Downs, Armel Le Bail:
Crystallography Open Database (COD): an open-access collection of crystal structures and platform for world-wide collaboration. Nucleic Acids Res. 40(Database-Issue): 420-427 (2012)
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