{
  "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/2011/07/31/groovy-cheminformatics-3rd-edition.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/q66d6-pqr12",
      "url": "https://chem-bla-ics.linkedchemistry.info/2011/07/31/groovy-cheminformatics-3rd-edition.html",
      "title": "Groovy Cheminformatics 3rd edition",
      "content_html": "<p><strong>Update</strong>: the <a href=\"https://chem-bla-ics.linkedchemistry.info/2012/01/15/groovy-cheminformatics-4th-edition.html\">fourth edition <i class=\"fa-solid fa-recycle fa-xs\"></i></a> is out.</p>\n\n<p>I am starting to get the hang of this publishing soon, publishing often thing, and\n<a href=\"http://www.lulu.com/product/paperback/groovy-cheminformatics-with-the-chemistry-development-kit/16378378\">just uploaded</a>\nedition 1.4.1-0 of the <a href=\"https://chem-bla-ics.linkedchemistry.info/2011/02/06/groovy-cheminformatics.html\">Groovy Cheminformatics <i class=\"fa-solid fa-recycle fa-xs\"></i></a> book.\nThe cover is the same (with one typo fix), and the content is 20 pages thicker. True, six of those pages are isotope\nmasses of all natural isotopes. That leaves 14 pages with this new content:</p>\n\n<ul>\n  <li>Section 2.7 on line notations with 2.7.1 about reading and writing SMILES</li>\n  <li>Section 6.3 about Sybyl (mol2) atom types</li>\n  <li>Section 7.4 on atom numbering with 7.4.1 on Morgan atom numbers, and 7.4.2 on InChI atom numbers</li>\n  <li>Chapter 9 on molecule depiction with the new rendering code, with\n    <ul>\n      <li>Section 9.1 on drawing molecules,</li>\n      <li>Section 9.2 on rendering parameters, and</li>\n      <li>Section 9.3 on the generator API and how to add custom content</li>\n    </ul>\n  </li>\n  <li>Section 11.4 on calculating aromaticity</li>\n  <li>Appendix A.2 listing all Sybyl atom types</li>\n  <li>Appendix B listing all naturally occurring isotopes</li>\n</ul>\n\n<p>Features requests most welcome.</p>",
      "summary": "Update: the fourth edition is out.",
      
      "date_published": "2011-07-31T00:00:00+00:00",
      "date_modified": "2025-02-15T00:00:00+00:00",
      "tags": ["cdk","cdkbook","java","cheminf"],
      
      
      
      
      
      
        "authors": [ { "name": "Egon Willighagen", "url": "https://orcid.org/0000-0001-7542-0286" } ]
      
    }

  ]
}