{
  "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/2010/09/12/cdk-127-changes-authors-and-reviewers.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/10.59350/336mq-1xy13",
      "url": "https://chem-bla-ics.linkedchemistry.info/2010/09/12/cdk-127-changes-authors-and-reviewers.html",
      "title": "CDK 1.2.7: the changes, the authors, and the reviewers",
      "content_html": "<p><a href=\"http://cdk.sf.net\">CDK</a> 1.2.7 is the latest of bug fix releases in the 1.2\nseries. It brings a number of JavaDoc fixes, but, importantly, also bug fixes\nin SMILES handling and atom type perception. I am really pleased to see the\napplication domain of various algorithms in the CDK continously grow: SMILES\nparsing for some transition metals has been fixed, and the SMILES generation\nfor some types of ring closures too. Additionally, an important bug was fixed\nin the atom type perception algorithm, which failed for custom atom types with\nformal charges. Everyone using the CDK 1.2 series is advised to upgrade to this\nversion.</p>\n\n<p><strong>The changes</strong></p>\n\n<ul>\n  <li>Compare values not objects (fixes #3061263) <a href=\"http://cdk.git.sourceforge.net/git/gitweb.cgi?p=cdk/cdk;a=commit;h=324f7f5\">324f7f5</a></li>\n  <li>Unit test to reproduce failing atom type perception with one of the options\nto create a -1 Integer object <a href=\"http://cdk.git.sourceforge.net/git/gitweb.cgi?p=cdk/cdk;a=commit;h=9c1b95a\">9c1b95a</a></li>\n  <li>Removed output to STDOUT <a href=\"http://cdk.git.sourceforge.net/git/gitweb.cgi?p=cdk/cdk;a=commit;h=223fc9a\">223fc9a</a></li>\n  <li>Fix for branching bracket issue when generating SMILES for BrC1C(Br)C(Br)C(Br)C(Br)C1Br\n<a href=\"http://cdk.git.sourceforge.net/git/gitweb.cgi?p=cdk/cdk;a=commit;h=b9b2272\">b9b2272</a></li>\n  <li>Unit test for bug #3040273. <a href=\"http://cdk.git.sourceforge.net/git/gitweb.cgi?p=cdk/cdk;a=commit;h=6d9b3d2\">6d9b3d2</a></li>\n  <li>Fixed hybridization information: these are sp3 hybridized systems <a href=\"http://cdk.git.sourceforge.net/git/gitweb.cgi?p=cdk/cdk;a=commit;h=a01de91\">a01de91</a></li>\n  <li>More missing elements for SMILES parsing problems reported in bug #3048501\n<a href=\"http://cdk.git.sourceforge.net/git/gitweb.cgi?p=cdk/cdk;a=commit;h=31f7462\">31f7462</a></li>\n  <li>Unit tests for SMILES parsing bugs reported in #3048501 <a href=\"http://cdk.git.sourceforge.net/git/gitweb.cgi?p=cdk/cdk;a=commit;h=bf8defd\">bf8defd</a></li>\n  <li>A few more missing elements in the SMILES two-character element symbol parsing\n<a href=\"http://cdk.git.sourceforge.net/git/gitweb.cgi?p=cdk/cdk;a=commit;h=5cf9334\">5cf9334</a></li>\n  <li>Added missing elements, fixing several problems reported in bug #3048501 <a href=\"http://cdk.git.sourceforge.net/git/gitweb.cgi?p=cdk/cdk;a=commit;h=6ab74bc\">6ab74bc</a></li>\n  <li>Upper case the first character to also properly recognize lower cased ‘aromatic’\ntwo-character element symbols (fixes SMILES parsign of things like c1[se]ccccc1\n<a href=\"http://cdk.git.sourceforge.net/git/gitweb.cgi?p=cdk/cdk;a=commit;h=3ec1480\">3ec1480</a></li>\n  <li>JavaDoc fixes: correct @cdk.cite use, and small typo <a href=\"http://cdk.git.sourceforge.net/git/gitweb.cgi?p=cdk/cdk;a=commit;h=394f9ed\">394f9ed</a></li>\n  <li>Updated the JavaDoc for an API changed a while ago: the getInChIToStructure()\nmethod now takes an IChemObjectBuilder as second argument (fixes #3035890)\n<a href=\"http://cdk.git.sourceforge.net/git/gitweb.cgi?p=cdk/cdk;a=commit;h=be56aac\">be56aac</a></li>\n  <li>Updated the JavaDoc for the atoms() Iterable API change (fixes #3034824) <a href=\"http://cdk.git.sourceforge.net/git/gitweb.cgi?p=cdk/cdk;a=commit;h=38873dc\">38873dc</a></li>\n</ul>\n\n<p><strong>The authors</strong>\nThe below numbers are based on the number of commits, but keep in mind that\nsome developers, like myself, need more commits for the same number of changed\nlines.</p>\n\n<pre>13  Egon Willighagen\n 2  Saravanaraj\n</pre>\n\n<p><strong>The reviewers</strong>\nThe below list is based on who signed off the patches. Anyone who reviews patches\nin the patch tracker can basically do this. Ask on cdk-devel on how to do this.</p>\n\n<pre> 8  Rajarshi Guha\n 4  Gilleain Torrance\n 2  Egon Willighagen\n</pre>",
      "summary": "CDK 1.2.7 is the latest of bug fix releases in the 1.2 series. It brings a number of JavaDoc fixes, but, importantly, also bug fixes in SMILES handling and atom type perception. I am really pleased to see the application domain of various algorithms in the CDK continously grow: SMILES parsing for some transition metals has been fixed, and the SMILES generation for some types of ring closures too. Additionally, an important bug was fixed in the atom type perception algorithm, which failed for custom atom types with formal charges. Everyone using the CDK 1.2 series is advised to upgrade to this version.",
      
      "date_published": "2010-09-12T00:00:00+00:00",
      "date_modified": "2010-09-12T00:00:00+00:00",
      "tags": ["cdk","cheminf","java"],
      
      
      
      
      
      
        "authors": [ { "name": "Egon Willighagen", "url": "https://orcid.org/0000-0001-7542-0286" } ]
      
    }

  ]
}