Building a Hyperspectral Library and its Incorporation into Sparse Unmixing for Mineral Identification. - Thanh Bui; Beate Orberger; Simon B. Blancher; Ali Mohammad-Djafari; Henry Pilliere; Anne Salaün; Xavier Bourrat; Nicolas Maubec; Thomas Lefévre; Celine Rodriguez; Antanas Vaitkus; Saulius Grazulis; et al. (IGARSS, 2018)

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)

PLBD: protein-ligand binding database of thermodynamic and kinetic intrinsic parameters. - Darius Linge; Marius Gedgaudas; Andrius Merkys; Vytautas Petrauskas; Antanas Vaitkus; Algirdas Grybauskas; Vaida Paketuryte; Asta Zubriene; Audrius Zaksauskas; Aurelija Mickeviciute; Joana Smirnoviene; Lina Baranauskiene; et al. (Database J. Biol. Databases Curation, 2023)

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)