{
  "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/2010/10/08/100th-cdk-2003-paper.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/chq8n-y6905",
      "url": "https://chem-bla-ics.linkedchemistry.info/2010/10/08/100th-cdk-2003-paper.html",
      "title": "The 100th CDK 2003 paper",
      "content_html": "<p>We got a winner! Crabtree just published the paper <em>An Open-Source Java Platform\nfor Automated Reaction Mapping</em> (doi:<a href=\"http://dx.doi.org/10.1021/ci100061d\">10.1021/ci100061d</a>),\nand is, according to Web of Science, the 100th paper to cite the CDK 2003 paper\n(doi:<a href=\"http://dx.doi.org/10.1021/ci025584y\">10.1021/ci025584y</a>)!</p>\n\n<p><img src=\"/assets/images/cdk100.png\" alt=\"\" /></p>\n\n<p>The paper uses the rendering functionality of the CDK. The authors write:</p>\n\n<blockquote>\n  <p>The viewer application uses code from the Chemistry Development Kit (31) (CDK) to display graphical representations\nof the compounds involved in the reactions. The CDK source code was altered to enable the color-coded display of\nthe bonds that were broken or formed during the reaction as shown in Figure 7. In addition, we created a “transition\nstate” molecule that shows the transitory combination of reactant molecules that occurs at a potential energy\nmaximum. The CDK source code was also modified to support the display of the transition state.</p>\n</blockquote>\n\n<p>The source code is, as the title promises, open source, and available from the\n<a href=\"https://sourceforge.net/projects/armsrc/\">armsrc project on SourceForge</a>.</p>\n\n<h4>References</h4>\n<div class=\"csl-bib-body\">\n    <div class=\"csl-entry\">Steinbeck, C., Han, Y., Kuhn, S., Horlacher, O., Luttmann, E., &#38; Willighagen, E. (2003). The Chemistry Development Kit (CDK):  An Open-Source Java Library for Chemo- and Bioinformatics. <i>Journal of Chemical Information and Computer Sciences</i>, <i>43</i>(2), 493–500. https://doi.org/10.1021/ci025584y <a href=\"https://doi.org/10.1021/CI025584Y\">CrossRef</a> <a href=\"https://qlever.scholia.wiki/doi/10.1021/CI025584Y\">Scholia</a></div>\n  </div>",
      "summary": "We got a winner! Crabtree just published the paper An Open-Source Java Platform for Automated Reaction Mapping (doi:10.1021/ci100061d), and is, according to Web of Science, the 100th paper to cite the CDK 2003 paper (doi:10.1021/ci025584y)!",
      "image": "https://chem-bla-ics.linkedchemistry.info/assets/images/cdk100.png",
      "date_published": "2010-10-08T00:00:00+00:00",
      "date_modified": "2010-10-08T00:00:00+00:00",
      "tags": ["cdk","jchempaint"],
      "_references": [
        
          
          
            { "url": "https://doi.org/10.1021/CI025584Y", "doi": "10.1021/CI025584Y"
             }
            ,
          
        
          
          
            { "url": "https://doi.org/10.1021/ci100061d", "doi": "10.1021/ci100061d"
             }
            
          
        ],
      
      
      
      
      
      
        "authors": [ { "name": "Egon Willighagen", "url": "https://orcid.org/0000-0001-7542-0286" } ]
      
    }

  ]
}