{
  "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/2009/08/06/chemspider-fail-1-smiles.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/hf28w-ngd39",
      "url": "https://chem-bla-ics.linkedchemistry.info/2009/08/06/chemspider-fail-1-smiles.html",
      "title": "ChemSpider fail #1: SMILES",
      "content_html": "<p>Cheminformatics is difficult, I know. But I thought I used a simple SMILES when I typed <em>C1CNCC1</em>, but <a href=\"http://www.chemspider.com/\">ChemSpider</a>\ngot it wrong :) The correct structure should be <a href=\"http://en.wikipedia.org/wiki/Pyrrolidine\">pyrrolidine</a>, not\n<a href=\"http://en.wikipedia.org/wiki/Pyrrole\">pyrrole</a>. I always mix up those names, so defaulted to ChemSpider to give me the correct name, which\n<a href=\"http://www.chemspider.com/RecordView.aspx?rid=3fdc7226-0f87-44c5-b367-f3fdbda4bbde\">ChemSpider knows</a> and where it also has the\nSMILES correct… there just seems something wrong with there search dialog:</p>\n\n<p><img src=\"/assets/images/chemSpiderFail.png\" alt=\"\" /></p>\n\n<p>There has been <a href=\"http://www.chemspider.com/blog/?p=55\">some talk about a ChemSpider Bugzilla</a>, but I don’t think this has\nmaterialized yet, and I’ll have the default to <em>info-at-chemspider-dot-com</em> …</p>",
      "summary": "Cheminformatics is difficult, I know. But I thought I used a simple SMILES when I typed C1CNCC1, but ChemSpider got it wrong :) The correct structure should be pyrrolidine, not pyrrole. I always mix up those names, so defaulted to ChemSpider to give me the correct name, which ChemSpider knows and where it also has the SMILES correct… there just seems something wrong with there search dialog:",
      "image": "https://chem-bla-ics.linkedchemistry.info/assets/images/chemSpiderFail.png",
      "date_published": "2009-08-06T00:00:00+00:00",
      "date_modified": "2009-08-06T00:00:00+00:00",
      "tags": ["chemspider","smiles"],
      
      
      
      
      
      
        "authors": [ { "name": "Egon Willighagen", "url": "https://orcid.org/0000-0001-7542-0286" } ]
      
    }

  ]
}