{
  "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/2006/11/07/when-is-open-source-chemoinformatics.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/10.59350/1ygnr-aa173",
      "url": "https://chem-bla-ics.linkedchemistry.info/2006/11/07/when-is-open-source-chemoinformatics.html",
      "title": "When is open source chemoinformatics successful?",
      "content_html": "<p>Open source chemoinformatics has become a common phenomenon, though many projects are small in nature:\nsource code is developed by only few developers, or even in a closed manner and released when considered\ndone. Within open source software there is room for distinguishing a subset of open development\nchemoinformatics, that is, Bazar-like, instead of Cathedral-like (see\n<a href=\"http://catb.org/esr/writings/cathedral-bazaar/cathedral-bazaar/\">ESR’s famous writing</a>).</p>\n\n<p>Measuring the importance of an open source project can be done by many measures, such as the number of people\non the user and developers mailing lists, number of downloads, number of source lines of code\n[<a href=\"http://en.wikipedia.org/wiki/Source_lines_of_code\">wp:SLOC</a>], number of independent development locations,\nand rankings on, for example, <a href=\"http://www.sourceforge.net/\">SourceForge</a> or <a href=\"http://www.google.com/\">Google</a>.\nJust to name a few.</p>\n\n<p>Scientific importance of an open source project can sometimes be measured by a citation index; that is, only\nwhen there is a landmark article for the project. <a href=\"http://www.umass.edu/microbio/rasmol/index2.htm\">Rasmol</a>\nis such a project: a first article was published in 1995 (DOI:<a href=\"https://doi.org/10.1016/S0968-0004(00)89080-5\">10.1016/S0968-0004(00)89080-5</a>),\nand a follow up in 2000 (DOI:<a href=\"https://doi.org/10.1016/S0968-0004(00)01606-6\">10.1016/S0968-0004(00)01606-6</a>).\nThe first was cited <strong>1190</strong> times, and the second 65 times (as stated on <a href=\"http://www.isiknowledge.com/wos/\">Web-of-Science</a>).\nQuite successful indeed.</p>\n\n<p>OK, it is not even 100+, but I am quite happy with the <a href=\"http://wiki.cubic.uni-koeln.de/cdkwiki/doku.php?id=literature\">scientific impact of the CDK</a>\nso far: the 2003 CDK article (DOI:<a href=\"https://doi.org/10.1021/ci025584y\">10.1021/ci025584y</a>) was cited 24 times\nnow, and the just published 2006 article (DOI:<a href=\"https://doi.org/10.2174/138161206777585274\">10.2174/138161206777585274</a>)\nonce:</p>\n\n<p><img src=\"/assets/images/cdkCitationCounts.png\" alt=\"\" /></p>\n\n<h4>References</h4>\n<div class=\"csl-bib-body\">\n    <div class=\"csl-entry\">Bernstein, H. J. (2000). Recent changes to RasMol, recombining the variants. <i>Trends in Biochemical Sciences</i>, <i>25</i>(9), 453–455. https://doi.org/10.1016/s0968-0004(00)01606-6 <a href=\"https://doi.org/10.1016/S0968-0004(00)01606-6\">CrossRef</a> <a href=\"https://qlever.scholia.wiki/doi/10.1016/S0968-0004(00)01606-6\">Scholia</a></div>\n    <div class=\"csl-entry\">Sayle, R. (1995). RASMOL: biomolecular graphics for all. <i>Trends in Biochemical Sciences</i>, <i>20</i>(9), 374–376. https://doi.org/10.1016/s0968-0004(00)89080-5 <a href=\"https://doi.org/10.1016/S0968-0004(00)89080-5\">CrossRef</a> <a href=\"https://qlever.scholia.wiki/doi/10.1016/S0968-0004(00)89080-5\">Scholia</a></div>\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 class=\"csl-entry\">Steinbeck, C., Hoppe, C., Kuhn, S., Floris, M., Guha, R., &#38; Willighagen, E. (2006). Recent Developments of the Chemistry Development Kit (CDK) - An Open-Source Java Library for Chemo- and Bioinformatics. <i>Current Pharmaceutical Design</i>, <i>12</i>(17), 2111–2120. https://doi.org/10.2174/138161206777585274 <a href=\"https://doi.org/10.2174/138161206777585274\">CrossRef</a> <a href=\"https://qlever.scholia.wiki/doi/10.2174/138161206777585274\">Scholia</a></div>\n  </div>",
      "summary": "Open source chemoinformatics has become a common phenomenon, though many projects are small in nature: source code is developed by only few developers, or even in a closed manner and released when considered done. Within open source software there is room for distinguishing a subset of open development chemoinformatics, that is, Bazar-like, instead of Cathedral-like (see ESR’s famous writing).",
      "image": "https://chem-bla-ics.linkedchemistry.info/assets/images/cdkCitationCounts.png",
      "date_published": "2006-11-07T00:00:00+00:00",
      "date_modified": "2025-02-16T00:00:00+00:00",
      "tags": ["cdk","rasmol","cheminf"],
      "_references": [
        
          
          
            { "url": "https://doi.org/10.1016/S0968-0004(00)89080-5", "doi": "10.1016/S0968-0004(00)89080-5"
             }
            ,
          
        
          
          
            { "url": "https://doi.org/10.1016/S0968-0004(00)01606-6", "doi": "10.1016/S0968-0004(00)01606-6"
             }
            ,
          
        
          
          
            { "url": "https://doi.org/10.1021/CI025584Y", "doi": "10.1021/CI025584Y"
             }
            ,
          
        
          
          
            { "url": "https://doi.org/10.2174/138161206777585274", "doi": "10.2174/138161206777585274"
             }
            
          
        ],
      
      
      
      
      
      
        "authors": [ { "name": "Egon Willighagen", "url": "https://orcid.org/0000-0001-7542-0286" } ]
      
    }

  ]
}