{
  "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/2006/09/20/cdk-bug-squash-party-day-2.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/wzs4m-9ky43",
      "url": "https://chem-bla-ics.linkedchemistry.info/2006/09/20/cdk-bug-squash-party-day-2.html",
      "title": "CDK Bug Squash Party - Day 2",
      "content_html": "<p>Like <a href=\"https://chem-bla-ics.linkedchemistry.info/2006/09/18/cdk-bug-squash-party-day-1.html\">yesterday <i class=\"fa-solid fa-recycle fa-xs\"></i></a> I will give short overview of things done at the\n<a href=\"http://cdk.sf.net/\">Chemistry Development Kit</a> <a href=\"http://wiki.cubic.uni-koeln.de/cdkwiki/doku.php?id=bsp200609\">Bug Squash Party</a> (BSP).\nI think Stefan was the only to fix and close a bug report yesterday. Rajarshi added the\n<a href=\"http://cheminfo.informatics.indiana.edu/~rguha/code/java/nightly/api/org/openscience/cdk/qsar/descriptors/molecular/MDEDescriptor.html\">MDE descriptor</a>\n(yes, during a BSP new code might be commited too ;)</p>\n\n<p>More interestingly, discussion on the <a href=\"http://sourceforge.net/mailarchive/forum.php?forum_id=2178\">developers mailing list</a> on the\npatch by Todd Martin of the <a href=\"http://www.epa.gov/\">EPA</a> to address deducing bond orders in\nSMILES parsing (the major source of current open bugs!). A problem seems to be when his tool should be called in the SmilesParser class.</p>\n\n<p>More details on the proceedings can be found on the <a href=\"http://wiki.cubic.uni-koeln.de/cdkwiki/doku.php?id=bsp200609\">BSP wiki page</a>.</p>",
      "summary": "Like yesterday I will give short overview of things done at the Chemistry Development Kit Bug Squash Party (BSP). I think Stefan was the only to fix and close a bug report yesterday. Rajarshi added the MDE descriptor (yes, during a BSP new code might be commited too ;)",
      
      "date_published": "2006-09-20T00:00:00+00:00",
      "date_modified": "2025-02-15T00:00:00+00:00",
      "tags": ["cdk","bsp","conference"],
      
      
      
      
      
      
        "authors": [ { "name": "Egon Willighagen", "url": "https://orcid.org/0000-0001-7542-0286" } ]
      
    }

  ]
}