Wikidata:Property proposal/SMARTS
SMARTS
[edit]Originally proposed at Wikidata:Property proposal/Natural science
| Description | notation used for specifying substructural patterns in chemical molecules |
|---|---|
| Represents | SMARTS (Q7544680) |
| Data type | String |
| Domain | structural class of chemical entities (Q47154513) |
| Example 1 | aldehydes (Q101497) → [CX3H1](=O)[#6] |
| Example 2 | ketone (Q170744) → [#6][CX3](=O)[#6] |
| Example 3 | nitrile (Q333936) → [NX1]#[CX2] |
| Formatter URL | https://smarts.plus/smartsview/download_rest?smarts=$1;filetype=png;vmode=0;textdesc=1;depsymbols=1;smartsheading=0 (cf. https://smartsview.zbh.uni-hamburg.de/rest for more details; as this should be a string-datatype property, use of [[MediaWiki:Gadget-AuthorityControl.js]] would be necessary) |
| See also | canonical SMILES (P233), isomeric SMILES (P2017) |
Motivation
[edit]SMARTS is an extension of SMILES that can be used to describe classes and groups of chemical entities. This line notation is not as popular as SMILES, and is not easy to create even with a proper software, but it's one of the few available methods of describing substructural patterns. We have SMILES for most of organic compounds in WD and I think that in the future SMARTS can be used to help us classify chemical compounds in WD. Zentrum für Bioinformatik of the Universität Hamburg maintain an online service that converts SMARTS notation into graphics and compares SMARTS/SMILES notations: https://smartsview.zbh.uni-hamburg.de/ . Wostr (talk) 20:19, 8 August 2020 (UTC)
Notified participants of WikiProject Chemistry
Discussion
[edit]
Support Pamputt (talk) 17:42, 10 August 2020 (UTC)- Support --SCIdude (talk) 08:24, 11 August 2020 (UTC)
- Support --Ameisenigel (talk) 15:04, 12 August 2020 (UTC)
