{"id":161,"date":"2009-04-23T11:14:38","date_gmt":"2009-04-23T09:14:38","guid":{"rendered":"http:\/\/www.steinbeck-molecular.de\/steinblog\/?p=161"},"modified":"2009-05-19T13:42:12","modified_gmt":"2009-05-19T11:42:12","slug":"cdk-workshop-2009-wrap-up","status":"publish","type":"post","link":"http:\/\/www.steinbeck-molecular.de\/steinblog\/index.php\/2009\/04\/23\/cdk-workshop-2009-wrap-up\/","title":{"rendered":"CDK Workshop 2009 Wrap-up"},"content":{"rendered":"<p><img loading=\"lazy\" decoding=\"async\" class=\"alignleft size-thumbnail wp-image-164\" title=\"300px-shot1\" src=\"http:\/\/www.steinbeck-molecular.de\/steinblog\/wp-content\/uploads\/2009\/04\/300px-shot1-150x150.jpg\" alt=\"300px-shot1\" width=\"150\" height=\"150\" \/>The <a href=\"http:\/\/apps.sourceforge.net\/mediawiki\/cdk\/index.php?title=CDK_Workshop_2009\" target=\"_blank\">CDK workshop 2009<\/a> is over and what is left is a bad cold. But I&#8217;ll get over it.<\/p>\n<p>The workshop itself was phantastic &#8211; we had 40 participants with well balanced contributions from industry and academia. The first half day was dedicated to tutorials on various aspects of CDK, <a href=\"http:\/\/www.steinbeck-molecular.de\/steinblog\/index.php\/2009\/04\/20\/egons-introductory-talk-about-getting-started-with-cdk\/\" target=\"_blank\">basic installation<\/a>, our <a href=\"http:\/\/www.steinbeck-molecular.de\/steinblog\/index.php\/2009\/04\/20\/mark-rijnbeeks-talk-about-cdk-and-databases\/\" target=\"_blank\">CDK and Oracle-based chemical search engine<\/a>, <a href=\"http:\/\/www.steinbeck-molecular.de\/steinblog\/index.php\/2009\/04\/20\/ola-spjuth-talks-about-accessing-and-scripting-cdk-from-bioclipse\/\" target=\"_blank\">scripting of CDK from within Bioclipse<\/a> and <a href=\"http:\/\/www.steinbeck-molecular.de\/steinblog\/index.php\/2009\/04\/20\/thorsten-meinl-and-bernd-wiswedel-talking-about-cdk-workflows-in-knime\/\" target=\"_blank\">CDK-based workflows in KNIME<\/a>. The second day brought talks about science and applications based on CDK by <a href=\"http:\/\/www.steinbeck-molecular.de\/steinblog\/index.php\/2009\/04\/21\/john-van-dries-talk-on-cdk-in-virtual-drug-discovery\/\" target=\"_blank\">John van Drie<\/a>, <a href=\"http:\/\/www.steinbeck-molecular.de\/steinblog\/index.php\/2009\/04\/21\/asad-rahman-on-small-molecules-and-reaction-mechanism-rewiring-the-enzyme-space\/\" target=\"_blank\">Asad Rahman<\/a> und <a href=\"http:\/\/www.steinbeck-molecular.de\/steinblog\/index.php\/2009\/04\/21\/oliver-karch-about-molwind-using-cdk-to-visualize-molecule-spaces-in-a-geospatial-context\/\" target=\"_blank\">Oliver Karch<\/a>.\u00a0 I reported earlier on those talks.<\/p>\n<p>This official part was followed by a <a href=\"http:\/\/www.steinbeck-molecular.de\/steinblog\/index.php\/2009\/04\/20\/cdk-workshop-2009-kick-off-talk\/\" target=\"_blank\">developers workshop in the format of an unconference<\/a>.\u00a0 Participants suggested topics on the fly and then voted with their feet. The topics that then made it where:<\/p>\n<ul>\n<li> <a title=\"Clojure\" href=\"http:\/\/apps.sourceforge.net\/mediawiki\/cdk\/index.php?title=Clojure\">Clojure<\/a><\/li>\n<li> <a title=\"Mining ChEMBL with CDK pharmacophore stuff\" href=\"http:\/\/apps.sourceforge.net\/mediawiki\/cdk\/index.php?title=Mining_ChEMBL_with_CDK_pharmacophore_stuff\">Mining ChEMBL with CDK pharmacophore stuff<\/a><\/li>\n<li> <a title=\"Threading group\" href=\"http:\/\/apps.sourceforge.net\/mediawiki\/cdk\/index.php?title=Threading_group\">Threading group<\/a><\/li>\n<li> <a title=\"Top 10 improvements (CDK WS 2009 unconference)\" href=\"http:\/\/apps.sourceforge.net\/mediawiki\/cdk\/index.php?title=Top_10_improvements_%28CDK_WS_2009_unconference%29\">Top 10 improvements (CDK WS 2009 unconference)<\/a><\/li>\n<li> <a title=\"JChemPaint\/Rendering\" href=\"http:\/\/apps.sourceforge.net\/mediawiki\/cdk\/index.php?title=JChemPaint\/Rendering\">JChemPaint\/Rendering<\/a><\/li>\n<\/ul>\n<p>all of which reported their results on the CDK wiki.<\/p>\n<p>Another important outcome was a movement to join forces in creating and maintaining joint CDK-based plugins for KNIME and Bioclipse. There is a lot of synergy to be harvested. Licensing problems will need to be overcome but that seems doable. <a href=\"https:\/\/puttygen.in\">https:\/\/puttygen.in<\/a> <\/p>\n","protected":false},"excerpt":{"rendered":"<p>The CDK workshop 2009 is over and what is left is a bad cold. But I&#8217;ll get over it. The workshop itself was phantastic &#8211; we had 40 participants with well balanced contributions from industry and academia. The first half day was dedicated to tutorials on various aspects of CDK, basic installation, our CDK and [&hellip;]<\/p>\n","protected":false},"author":2,"featured_media":0,"comment_status":"open","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[22,13,23,5,15,24,26,14,7,27,19,29,8],"tags":[42,43,72],"class_list":["post-161","post","type-post","status-publish","format-standard","hentry","category-bioclipse","category-blue-obelisk","category-chemistry-development-kit","category-chemoinformatics","category-conferences-and-meetings","category-databases","category-fun","category-life-of-chris","category-open-science","category-open-source","category-people","category-scientific-culture","category-teaching","tag-cdk","tag-cheminformatics","tag-open-source"],"_links":{"self":[{"href":"http:\/\/www.steinbeck-molecular.de\/steinblog\/index.php\/wp-json\/wp\/v2\/posts\/161"}],"collection":[{"href":"http:\/\/www.steinbeck-molecular.de\/steinblog\/index.php\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"http:\/\/www.steinbeck-molecular.de\/steinblog\/index.php\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"http:\/\/www.steinbeck-molecular.de\/steinblog\/index.php\/wp-json\/wp\/v2\/users\/2"}],"replies":[{"embeddable":true,"href":"http:\/\/www.steinbeck-molecular.de\/steinblog\/index.php\/wp-json\/wp\/v2\/comments?post=161"}],"version-history":[{"count":5,"href":"http:\/\/www.steinbeck-molecular.de\/steinblog\/index.php\/wp-json\/wp\/v2\/posts\/161\/revisions"}],"predecessor-version":[{"id":198,"href":"http:\/\/www.steinbeck-molecular.de\/steinblog\/index.php\/wp-json\/wp\/v2\/posts\/161\/revisions\/198"}],"wp:attachment":[{"href":"http:\/\/www.steinbeck-molecular.de\/steinblog\/index.php\/wp-json\/wp\/v2\/media?parent=161"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"http:\/\/www.steinbeck-molecular.de\/steinblog\/index.php\/wp-json\/wp\/v2\/categories?post=161"},{"taxonomy":"post_tag","embeddable":true,"href":"http:\/\/www.steinbeck-molecular.de\/steinblog\/index.php\/wp-json\/wp\/v2\/tags?post=161"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}