{
  "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/2008/07/23/commercial-qsar-modeling-sorry-already.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/ejb9x-yf544",
      "url": "https://chem-bla-ics.linkedchemistry.info/2008/07/23/commercial-qsar-modeling-sorry-already.html",
      "title": "Commercial QSAR modeling? Sorry, already patented...",
      "content_html": "<p><a href=\"http://www.freepatentsonline.com/y2001/0049585.html\">QSAR has been patented</a> in 2001 (US patent 20010049585).</p>\n\n<p>Claim 1:</p>\n\n<blockquote>\n  <p>A method for predicting a set of chemical, physical or biological features related to chemical substances or\nrelated to interactions of chemical substances using a system comprising a plurality of prediction means, the\nmethod comprising using at least 16 different individual prediction means, thereby providing an individual\nprediction of the set of features for each of the individual prediction means and predicting the set of features\non the basis of combining the individual predictions, the combining being performed in such a manner that the\ncombined prediction is more accurate on a test set than substantially any of the predictions of the individual\nprediction means.</p>\n</blockquote>\n\n<p>They use averaging or weighted averaging of the individual predictions (claim 2). Oh, and just in case you think\nyou are clever and you use 17, 32, etc individual predictions. Sorry, no luck either; you have to use way beyond\n1M individual predictions according to the following claim ;)</p>\n\n<p>Claim 2:</p>\n\n<blockquote>\n  <p>A method according to claim 1, wherein the number of different predictions means is at least 20, such as at least\n30, such as at least 40, 50, 75, 100, 200, 400, 600, 800, 1000, 1200, 1400, 1600, 1800, 2000, 2500, 3000, 4000, 5000,\n6000, 7000, 8000, 9000, 10,000, 15,000, 20,000, 30,000, 40,000, 50,000, 100,000, 200,000, 500,000, 1,000,000.</p>\n</blockquote>\n\n<p>What can I say about this? Please leave your opinion in the comments…</p>",
      "summary": "QSAR has been patented in 2001 (US patent 20010049585).",
      
      "date_published": "2008-07-23T00:00:00+00:00",
      "date_modified": "2008-07-23T00:00:00+00:00",
      "tags": ["qsar"],
      
      
      
      
      
      
        "authors": [ { "name": "Egon Willighagen", "url": "https://orcid.org/0000-0001-7542-0286" } ]
      
    }

  ]
}