{
  "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/2006/02/17/chemical-reactions-in-cml.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/zm41a-h0037",
      "url": "https://chem-bla-ics.linkedchemistry.info/2006/02/17/chemical-reactions-in-cml.html",
      "title": "Chemical reactions in CML",
      "content_html": "<p>Gemma Holiday’s article on CMLReact was published in the january issue of the <a href=\"http://pubs3.acs.org/acs/journals/toc.page?incoden=jcisd8\">JCIM</a>\n(doi:<a href=\"https://doi.org/10.1021/ci0502698\">10.1021/ci0502698</a>), which seems to be marked as sample issue right now. She used CMLReact as data format for\n<a href=\"http://www-mitchell.ch.cam.ac.uk/macie/\">MACiE <i class=\"fa-solid fa-link-slash fa-xs\"></i></a> (see doi:<a href=\"https://doi.org/10.1093/bioinformatics/bti693\">10.1093/bioinformatics/bti693</a>), a\ndatabase of 100 enzyme reactions, with fully annotated reaction mechanisms, making this an remarkable and insightfull database.</p>\n\n<p>Now, the nice thing is that this CML should be readable and renderable by the <a href=\"http://cdk.sf.net/\">CDK</a>, though the webinterface uses\nSVG and can be used using <a href=\"http://www.mozilla.com/firefox/\">FireFox</a> too.</p>\n\n<h4>References</h4>\n<div class=\"csl-bib-body\">\n    <div class=\"csl-entry\">Holliday, G. L., Bartlett, G. J., Almonacid, D. E., O’Boyle, N. M., Murray-Rust, P., Thornton, J. M., &#38; Mitchell, J. B. O. (2005). MACiE: a database of enzyme reaction mechanisms. <i>Bioinformatics</i>, <i>21</i>(23), 4315–4316. https://doi.org/10.1093/bioinformatics/bti693 <a href=\"https://doi.org/10.1093/bioinformatics/bti693\">CrossRef</a> <a href=\"https://qlever.scholia.wiki/doi/10.1093/bioinformatics/bti693\">Scholia</a></div>\n    <div class=\"csl-entry\">Holliday, G. L., Murray-Rust, P., &#38; Rzepa, H. S. (2005). Chemical Markup, XML, and the World Wide Web. 6. CMLReact, an XML Vocabulary for Chemical Reactions. <i>Journal of Chemical Information and Modeling</i>, <i>46</i>(1), 145–157. https://doi.org/10.1021/ci0502698 <a href=\"https://doi.org/10.1021/ci0502698\">CrossRef</a> <a href=\"https://qlever.scholia.wiki/doi/10.1021/ci0502698\">Scholia</a></div>\n  </div>",
      "summary": "Gemma Holiday’s article on CMLReact was published in the january issue of the JCIM (doi:10.1021/ci0502698), which seems to be marked as sample issue right now. She used CMLReact as data format for MACiE (see doi:10.1093/bioinformatics/bti693), a database of 100 enzyme reactions, with fully annotated reaction mechanisms, making this an remarkable and insightfull database.",
      
      "date_published": "2006-02-17T00:00:00+00:00",
      "date_modified": "2025-02-16T00:00:00+00:00",
      "tags": ["cdk","cml","bioinfo"],
      "_references": [
        
          
          
            { "url": "https://doi.org/10.1021/ci0502698", "doi": "10.1021/ci0502698"
             }
            ,
          
        
          
          
            { "url": "https://doi.org/10.1093/bioinformatics/bti693", "doi": "10.1093/bioinformatics/bti693"
             }
            
          
        ],
      
      
      
      
      
      
        "authors": [ { "name": "Egon Willighagen", "url": "https://orcid.org/0000-0001-7542-0286" } ]
      
    }

  ]
}