{
  "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/2009/08/05/dear-advisory-board-which-qsar.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/10.59350/9b1ks-02t50",
      "url": "https://chem-bla-ics.linkedchemistry.info/2009/08/05/dear-advisory-board-which-qsar.html",
      "title": "Dear Advisory Board: which QSAR descriptors would you like to see implemented in the CDK?",
      "content_html": "<blockquote>\n  <p>Dear Advisory Board,</p>\n\n  <p>Ola Spjuth has recently been working on a extensive QSAR environment in <a href=\"http://www.bioclipse.net/\">Bioclipse</a>, and molecular descriptors are\nprovided using remote services but also using the <a href=\"http://cdk.sf.net/\">CDK</a>. The CDK has a relatively large collection of QSAR descriptors,\nbut certainly not the full list discussed in the <a href=\"http://www.moleculardescriptors.eu/books/handbook.htm\">Handbook of Molecular Descriptor</a>.</p>\n\n  <p>I’m sure everyone would appreciate a few more descriptors, and I am wondering which ones you would assign priority to. So:</p>\n\n  <p>which QSAR descriptors would you like to see implemented in the CDK?</p>\n\n  <p>Looking forward to hearing from you, preferable as comment in this blog, or via email to <a href=\"http://sourceforge.net/mailarchive/forum.php?forum_name=cdk-user\">cdk-user</a>\nmailing list or directly to me otherwise. Make sure to include a full reference to the paper that describes the algorithm.</p>\n\n  <p>Kind regards,</p>\n\n  <p>Egon</p>\n</blockquote>",
      "summary": "Dear Advisory Board, Ola Spjuth has recently been working on a extensive QSAR environment in Bioclipse, and molecular descriptors are provided using remote services but also using the CDK. The CDK has a relatively large collection of QSAR descriptors, but certainly not the full list discussed in the Handbook of Molecular Descriptor. I’m sure everyone would appreciate a few more descriptors, and I am wondering which ones you would assign priority to. So: which QSAR descriptors would you like to see implemented in the CDK? Looking forward to hearing from you, preferable as comment in this blog, or via email to cdk-user mailing list or directly to me otherwise. Make sure to include a full reference to the paper that describes the algorithm. Kind regards, Egon",
      
      "date_published": "2009-08-05T00:10:00+00:00",
      "date_modified": "2009-08-05T00:10:00+00:00",
      "tags": ["cdk","qsar","bioclipse"],
      
      
      
      
      
      
        "authors": [ { "name": "Egon Willighagen", "url": "https://orcid.org/0000-0001-7542-0286" } ]
      
    }

  ]
}