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Graph isomorphism-based algorithm for cross-checking chemical and crystallographic descriptions.
Merkys, Andrius; Vaitkus, Antanas; Grybauskas, Algirdas; Konovalovas, Aleksandras; Quirós, Miguel; Grazulis, Saulius.
Affiliation
  • Merkys A; Sector of Crystallography and Chemical Informatics, Institute of Biotechnology, Life Sciences Center, Vilnius University, Vilnius, Lithuania. andrius.merkys@gmc.vu.lt.
  • Vaitkus A; Sector of Crystallography and Chemical Informatics, Institute of Biotechnology, Life Sciences Center, Vilnius University, Vilnius, Lithuania.
  • Grybauskas A; Sector of Crystallography and Chemical Informatics, Institute of Biotechnology, Life Sciences Center, Vilnius University, Vilnius, Lithuania.
  • Konovalovas A; Department of Biochemistry and Molecular Biology, Institute of Biosciences, Life Sciences Center, Vilnius University, Vilnius, Lithuania.
  • Quirós M; Departamento de Química Inorgánica, Universidad de Granada, 18071, Granada, Spain.
  • Grazulis S; Sector of Crystallography and Chemical Informatics, Institute of Biotechnology, Life Sciences Center, Vilnius University, Vilnius, Lithuania.
J Cheminform ; 15(1): 25, 2023 Feb 23.
Article in En | MEDLINE | ID: mdl-36814296
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Full text: 1 Collection: 01-internacional Database: MEDLINE Type of study: Prognostic_studies Language: En Journal: J Cheminform Year: 2023 Document type: Article Affiliation country: Country of publication:
Fulltext
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Full text: 1 Collection: 01-internacional Database: MEDLINE Type of study: Prognostic_studies Language: En Journal: J Cheminform Year: 2023 Document type: Article Affiliation country: Country of publication: