Additional file 3 of A workflow for deriving chemical entities from crystallographic data and its application to the Crystallography Open Database
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https://springernature.figshare.com/articles/dataset/Additional_file_3_of_A_workflow_for_deriving_chemical_entities_from_crystallographic_data_and_its_application_to_the_Crystallography_Open_Database/26656360/1
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资源简介：
Additional file 3: YAML file that contains the atom properties such as known oxidation states and known formal charges. A more detailed description of the serialised data structure is provided in the human-readable comment at the start of the file.
提供机构：
Merkys, Andrius; Gražulis, Saulius; Bolton, Evan E.; Vaitkus, Antanas; Sander, Thomas; Thiessen, Paul A.; Quirós, Miguel
创建时间：
2024-08-14
