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. 2023 Dec 19;15:123. doi: 10.1186/s13321-023-00780-2

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© This is a U.S. Government work and not under copyright protection in the US; foreign copyright protection may apply 2023

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Fig. 1 — Schema of the workflow used to derive chemical descriptions from crystallographic data in the COD. A more detailed description of the additional COD resources used in entry validity determination is provided in Additional file 1: Section S1