{
  "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/2010/08/06/oxford-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/10.59350/31apn-15c92",
      "url": "https://chem-bla-ics.linkedchemistry.info/2010/08/06/oxford-2.html",
      "title": "Oxford... #2",
      "content_html": "<p>The <a href=\"/2010/08/01/oxford.html\">Predictive Toxicology <i class=\"fa-solid fa-recycle fa-xs\"></i></a> meeting is over. It was a great meeting, by any standard.\nVery much recommended, and many thanx to Barry for the organization! The meeting was a true workshop, with a mix of presentations and getting\nwork done. I participated in a group that looked at mutagenicity of potential anti-malaria drugs from the datasets of GSK and Novartis recently\nrelease as Open Data. We used various tools to predict properties, and plan to make all our results freely available soon. Otherwise, it was\nalso great to meet Nina again (with whom I <a href=\"https://chem-bla-ics.blogspot.com/2010/08/using-bioclipse-to-upload-data-to.html\">talked about OpenTox</a>),\nand to meet other CDK users, including Patrik (<a href=\"https://web.archive.org/web/20100918124243/https://www.farma.ku.dk/smartcyp/\">SMARTCyp <i class=\"fa-solid fa-box-archive fa-xs\"></i></a>,\ndoi:<a href=\"https://doi.org/10.1021/ml100016x\">10.1021/ml100016x</a>) and David (<a href=\"http://inkspotscience.com/\">Inkspot</a>).</p>\n\n<p>In the afternoon I walked around a bit more in Oxford, did some more shopping… and visited the Apple shop and played with an iPad. It’s\nindeed a great piece of hardware. Looking forward to the first Android versions :)</p>\n\n<p><img src=\"/assets/images/DSCI0107.JPG\" alt=\"\" /></p>\n\n<h4>References</h4>\n<div class=\"csl-bib-body\">\n    <div class=\"csl-entry\">Rydberg, P., Gloriam, D. E., Zaretzki, J., Breneman, C., &#38; Olsen, L. (2010). SMARTCyp: A 2D Method for Prediction of Cytochrome P450-Mediated Drug Metabolism. <i>ACS Medicinal Chemistry Letters</i>, <i>1</i>(3), 96–100. https://doi.org/10.1021/ml100016x <a href=\"https://doi.org/10.1021/ml100016x\">CrossRef</a> <a href=\"https://qlever.scholia.wiki/doi/10.1021/ml100016x\">Scholia</a></div>\n  </div>",
      "summary": "The Predictive Toxicology meeting is over. It was a great meeting, by any standard. Very much recommended, and many thanx to Barry for the organization! The meeting was a true workshop, with a mix of presentations and getting work done. I participated in a group that looked at mutagenicity of potential anti-malaria drugs from the datasets of GSK and Novartis recently release as Open Data. We used various tools to predict properties, and plan to make all our results freely available soon. Otherwise, it was also great to meet Nina again (with whom I talked about OpenTox), and to meet other CDK users, including Patrik (SMARTCyp , doi:10.1021/ml100016x) and David (Inkspot).",
      
      "date_published": "2010-08-06T00:00:00+00:00",
      "date_modified": "2024-05-18T00:00:00+00:00",
      "tags": ["cdk","oxford","oxfordadmet2010","conference"],
      "_references": [
        
          
          
            { "url": "https://doi.org/10.1021/ml100016x", "doi": "10.1021/ml100016x"
             }
            
          
        ],
      
      
      
      
      
      
        "authors": [ { "name": "Egon Willighagen", "url": "https://orcid.org/0000-0001-7542-0286" } ]
      
    }

  ]
}