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Additional file 3 of Graph isomorphism-based algorithm for cross-checking chemical and crystallographic descriptions

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posted on 2024-08-13, 11:38 authored by Andrius Merkys, Antanas Vaitkus, Algirdas Grybauskas, Aleksandras Konovalovas, Miguel Quirós, Saulius Gražulis
Additional file 3. ChEMBL version 13 entries with identical SMILES.

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Research Council of Lithuania

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    Journal of Cheminformatics

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    Molecular graphsGraph isomorphismSMILESCrystallography Open Database

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    CC BY + CC0

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