Wikidata:Property proposal/COD ID

COD ID edit

Done: COD ID (P9824) (Talk and documentation)

Description	Identifier of a crystal structure in the Crystallography Open Database (COD)
Represents	Crystallography Open Database (Q1142422)
Data type	External identifier
Domain	chemical compound (Q11173)
Allowed values	[1-9][0-9]{6}
Example 1	barium titanate (Q415484) → 1507756; 1540757
Example 2	caffeine (Q60235) → 1505182; 5000108
Example 3	serotonin (Q167934) → 1516168; 2019147
Source	The Crystallography Open Database (https://www.crystallography.net/cod)
Planned use	Relate chemical compounds with their 3D structures in crystals in the COD
Number of IDs in source	~475 000
Expected completeness	eventually complete (Q21873974)
Formatter URL	https://www.crystallography.net/cod/$1.html
Proposed by	AntanasV (talk) 13:39, 3 August 2021 (UTC)[reply]

Motivation edit

Crystallography Open Database (Q1142422) (COD) is an open-access collection of experimentally determined small molecule crystal structures. The proposed property would link various chemicals, minerals, alloys, etc. to the corresponding crystal structures in the COD in a way that is most similar to the one already used to link entries from other open databases (i.e. PubChem (Q278487)/PubChem CID (P662), Protein Data Bank (Q766195)/PDB structure ID (P638), ChEMBL (Q6120337)/ChEMBL ID (P592), etc). This would facilitate easier access (i.e. via an infobox) to the interactive 3-D models as well as the original crystallographic data that can be downloaded and reused without any restrictions. AntanasV (talk) 13:39, 3 August 2021 (UTC)[reply]

Notified participants of WikiProject Chemistry

Discussion edit

Support COD is THE crystallography database for future, worth being in Wikidata. Daniel Chateigner (talk) 17:39, 4th August 2021 (UTC)
Support The property would be very useful IMHO. Unlike some other chemical crystallography databases, the COD is open access (all data are CC0), so it can provide Wikidata and Wikipedia users (and all others!) with instant access to experimentally validated molecule structures. Pterodaktilis (talk) 17:39, 3 August 2021 (UTC)[reply]
Support ArthurPSmith (talk) 18:34, 3 August 2021 (UTC)[reply]
Support Ungurinis (talk) 05:07, 4 August 2021 (UTC)[reply]
Support BTW, the Domain should be chemical compound, not crystal structure. --Egon Willighagen (talk) 06:53, 4 August 2021 (UTC)[reply]
- @Egon Willighagen: Thank you for the support, changed the domain to "chemical compound" as suggested.
Support [Disclaimer: I have been on the COD advisory board for many years, and my research group in Cambridge contributed over ten thousand potential entries, and also a lot of Open Source code]. The CC0 makes it straightforward to include links to other WP and WD entries. The database is very well indexed and makes wide use of InChI and other identifiers Petermr (talk) 07:22, 4 August 2021 (UTC)[reply]

Note that all entries are automatically linked to an interactive JSMol 3D display which can show ball-and-stick, surfaces, polyhedra, and symmetry-extended crystal structures (follow the links in the examples and left-click the display for options) Petermr (talk) 22:48, 4 August 2021 (UTC)[reply]

Support MQuirosOlozabal (talk) 09:01, 4 August 2021 (UTC)[reply]
Support COD is a quite useful scientific database with open data on crystal structures of chemical compounds and mixtures --Krapnik (talk) 09:42, 4 August 2021 (UTC)[reply]
Support TiagoLubiana (talk) 14:58, 4 August 2021 (UTC)[reply]
Support Armellebail (talk) 22:10, 5 August 2021 (UTC)[reply]
Support Bmeldal (talk) 12:13, 6 August 2021 (UTC)[reply]
Support --Daniel Mietchen (talk) 01:58, 11 August 2021 (UTC)[reply]

Done AntanasV. Please add statements accordangly. --Amitie 10g (talk) 22:47, 24 August 2021 (UTC)[reply]