{
  "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/2006/08/18/small-java-applet-for-2d-structure.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/10.59350/269sm-8sn42",
      "url": "https://chem-bla-ics.linkedchemistry.info/2006/08/18/small-java-applet-for-2d-structure.html",
      "title": "Small java applet for 2D structure drawing",
      "content_html": "<p>Trepalin et al. published in <a href=\"http://mdpi.org/molecules/\">Molecules</a> the article <em>A Java Chemical Structure Editor Supporting the Modular Chemical Descriptor\nLanguage (MCDL)</em> (open access <a href=\"http://mdpi.org/molecules/papers/11040219.pdf\">PDF</a>). The applet is about 250kB (though the article mentions 200kB) in size and\ndownloadable from the <a href=\"http://sourceforge.net/projects/mcdl/\">MCDL</a> project on SourceForge (license: Public Domain). The article compares the applet with the\n<a href=\"http://jchempaint.sf.net/\">JChemPaint</a> applet and notes that their applet is much smaller. Both allow a template database for automated structure diagram\ngeneration, and the database that comes with the MCDL applet contains 105 fragments, whereas the JChemPaint applet contains a few.</p>\n\n<p>The article also discusses the algorithm they use to deduce bond orders, starting from the MCDL, a problem <a href=\"http://cdk.sf.net/\">CDK</a> is struggling with when\ndealing with SMILES strings.</p>\n\n<h4>References</h4>\n<div class=\"csl-bib-body\">\n    <div class=\"csl-entry\">Trepalin, S. V., Yarkov, A. V., Pletnev, I. V., &#38; Gakh, A. A. (2006). A Java Chemical Structure Editor Supporting the Modular Chemical Descriptor Language (MCDL). <i>Molecules</i>, <i>11</i>(4), 219–231. https://doi.org/10.3390/11040219 <a href=\"https://doi.org/10.3390/11040219\">CrossRef</a> <a href=\"https://qlever.scholia.wiki/doi/10.3390/11040219\">Scholia</a></div>\n  </div>",
      "summary": "Trepalin et al. published in Molecules the article A Java Chemical Structure Editor Supporting the Modular Chemical Descriptor Language (MCDL) (open access PDF). The applet is about 250kB (though the article mentions 200kB) in size and downloadable from the MCDL project on SourceForge (license: Public Domain). The article compares the applet with the JChemPaint applet and notes that their applet is much smaller. Both allow a template database for automated structure diagram generation, and the database that comes with the MCDL applet contains 105 fragments, whereas the JChemPaint applet contains a few.",
      
      "date_published": "2006-08-18T00:00:00+00:00",
      "date_modified": "2025-02-16T00:00:00+00:00",
      "tags": ["java"],
      "_references": [
        
          
          
            { "url": "https://doi.org/10.3390/11040219", "doi": "10.3390/11040219"
             }
            
          
        ],
      
      
      
      
      
      
        "authors": [ { "name": "Egon Willighagen", "url": "https://orcid.org/0000-0001-7542-0286" } ]
      
    }

  ]
}