{
  "version": "https://jsonfeed.org/version/1.1",
  "title": "chem-bla-ics",
  "description": "Chemblaics (pronounced chem-bla-ics) is the science that uses open science and computers to solve problems in chemistry, biochemistry and related fields.",
  "home_page_url": "https://chem-bla-ics.linkedchemistry.info/",
  "feed_url": "https://chem-bla-ics.linkedchemistry.info/2022/08/02/wikidata-now-escapes-smiles-and-cxsmiles.json",
  "icon": "https://chem-bla-ics.linkedchemistry.info/assets/images/chem-bla-ics_logo.png",
  "language": "en",
  "authors": [
    {
      "name": "Egon Willighagen",
      "url": "https://orcid.org/0000-0001-7542-0286",
      "_orcid": "0000-0001-7542-0286"
    }
  ],
  "items": [

    {
      "id": "https://doi.org/10.59350/458r6-cmn16",
      "url": "https://chem-bla-ics.linkedchemistry.info/2022/08/02/wikidata-now-escapes-smiles-and-cxsmiles.html",
      "title": "Wikidata now escapes SMILES and CXSMILES!",
      "content_html": "<p>In the end it was a very <a href=\"https://www.wikidata.org/w/index.php?title=MediaWiki%3AGadget-AuthorityControl.js&amp;type=revision&amp;diff=1694196586&amp;oldid=1409657932\">simple change</a>\ntoday (huge thanks to <a href=\"https://www.wikidata.org/wiki/User:Nikki\">Nikki</a>!), but <a href=\"https://wikidata.org/\">Wikidata</a>\nnow escapes SMILES and CXSMILES (<a href=\"https://wikidata.org/entity/P10718\">P10718</a>) with the formatter URL\n(<a href=\"https://wikidata.org/entity/P1630\">P1630</a>)!</p>\n\n<p><img src=\"/assets/images/Screenshot_20220802_100605.png\" alt=\"\" /></p>\n\n<p>That means that the link to <a href=\"https://cdkdepict.cloud.vhp4safety.nl/\">CDK Depict</a> now also works for SMILES\n(<a href=\"https://wikidata.org/entity/P233\">P233</a> and <a href=\"https://wikidata.org/entity/P2017\">P2017</a>) with a triple bond in it :) And because\n<a href=\"https://twitter.com/Adafede\">Adriano</a> created the so far missing <code class=\"language-plaintext highlighter-rouge\">formatter URL</code> for CXSMILES, it also\nworks for lipid classes (see <a href=\"https://chem-bla-ics.blogspot.com/2022/08/biology-acps-lipids-cheminformatics-and.html\">my post yesterday</a>),\npolymers, etc :)</p>\n\n<p><img src=\"/assets/images/Screenshot_20220802_100818.png\" alt=\"\" /></p>\n\n<center>CXSMILES for a group of acyl-carrier proteins.</center>\n<p><br /></p>\n\n<p><img src=\"/assets/images/Screenshot_20220802_100841.png\" alt=\"\" /></p>\n\n<center>The <i>formatter URL</i> info added to make the link outs for CXSMILES work. The patch\nby Nikki ensures that characters like # are escaped before the URL is created.</center>\n<p><br /></p>",
      "summary": "In the end it was a very simple change today (huge thanks to Nikki!), but Wikidata now escapes SMILES and CXSMILES (P10718) with the formatter URL (P1630)!",
      
      "date_published": "2022-08-02T00:00:00+00:00",
      "date_modified": "2022-08-02T00:00:00+00:00",
      "tags": ["wikidata","cxsmiles"],
      
      
      
      
      
      
        "authors": [ { "name": "Egon Willighagen", "url": "https://orcid.org/0000-0001-7542-0286" } ]
      
    }

  ]
}