Additional file 4 of A workflow for deriving chemical entities from crystallographic data and its application to the Crystallography Open Database

Name: Additional file 4 of A workflow for deriving chemical entities from crystallographic data and its application to the Crystallography Open Database
Creator: Merkys, Andrius; Gražulis, Saulius; Bolton, Evan E.; Vaitkus, Antanas; Sander, Thomas; Thiessen, Paul A.; Quirós, Miguel
Published: 2024-08-14 00:00:00
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Figshare2024-08-14 更新2026-04-08 收录

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https://springernature.figshare.com/articles/dataset/Additional_file_4_of_A_workflow_for_deriving_chemical_entities_from_crystallographic_data_and_its_application_to_the_Crystallography_Open_Database/26656363/1

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Additional file 4: DWAR file that has the same structure as a regular COD DWAR file, but only describes the 4 crystal structures that were explicitly referenced in the article instead of the entire COD dataset. A detailed description of a COD DWAR file is provided in Additional file 1: Section S6.2.

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