{"id":145,"date":"2009-04-20T17:17:07","date_gmt":"2009-04-20T15:17:07","guid":{"rendered":"http:\/\/www.steinbeck-molecular.de\/steinblog\/?p=145"},"modified":"2009-05-19T13:42:12","modified_gmt":"2009-05-19T11:42:12","slug":"mark-rijnbeeks-talk-about-cdk-and-databases","status":"publish","type":"post","link":"http:\/\/www.steinbeck-molecular.de\/steinblog\/index.php\/2009\/04\/20\/mark-rijnbeeks-talk-about-cdk-and-databases\/","title":{"rendered":"Mark Rijnbeek&#8217;s talk about CDK and databases"},"content":{"rendered":"<p>Mark is working in my group on a CDK-based plugin for Oracle to enable chemistry searching: Similarity and Substructure. In his talk at the CDK workshop, he points out in the beginning that this is not a cartridge as defined by Oracle. It is a set of java classes loaded by the Oracle Java virtual machine (called &#8220;Aurora&#8221;).<\/p>\n<p>Mark points out a few performance issues (finding all rings in a Bucky Ball :-)).<\/p>\n<p>He then goes into how (and why) to use a combination of the CDK fingerprinter and the CDK subgraph ismorphism to achieve a good performance in chemical database searching. Mark has put up an exercise on http:\/\/www.ebi.ac.uk\/~markr.<\/p>\n<p>Feel free to go ahead and fill the gaps.<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Mark is working in my group on a CDK-based plugin for Oracle to enable chemistry searching: Similarity and Substructure. In his talk at the CDK workshop, he points out in the beginning that this is not a cartridge as defined by Oracle. It is a set of java classes loaded by the Oracle Java virtual [&hellip;]<\/p>\n","protected":false},"author":2,"featured_media":0,"comment_status":"open","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[23,5,15,14,7,19,29],"tags":[42,43,72],"class_list":["post-145","post","type-post","status-publish","format-standard","hentry","category-chemistry-development-kit","category-chemoinformatics","category-conferences-and-meetings","category-life-of-chris","category-open-science","category-people","category-scientific-culture","tag-cdk","tag-cheminformatics","tag-open-source"],"_links":{"self":[{"href":"http:\/\/www.steinbeck-molecular.de\/steinblog\/index.php\/wp-json\/wp\/v2\/posts\/145"}],"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=145"}],"version-history":[{"count":2,"href":"http:\/\/www.steinbeck-molecular.de\/steinblog\/index.php\/wp-json\/wp\/v2\/posts\/145\/revisions"}],"predecessor-version":[{"id":204,"href":"http:\/\/www.steinbeck-molecular.de\/steinblog\/index.php\/wp-json\/wp\/v2\/posts\/145\/revisions\/204"}],"wp:attachment":[{"href":"http:\/\/www.steinbeck-molecular.de\/steinblog\/index.php\/wp-json\/wp\/v2\/media?parent=145"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"http:\/\/www.steinbeck-molecular.de\/steinblog\/index.php\/wp-json\/wp\/v2\/categories?post=145"},{"taxonomy":"post_tag","embeddable":true,"href":"http:\/\/www.steinbeck-molecular.de\/steinblog\/index.php\/wp-json\/wp\/v2\/tags?post=145"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}