{"id":4740,"date":"2019-06-25T15:28:36","date_gmt":"2019-06-25T14:28:36","guid":{"rendered":"https:\/\/www.blopig.com\/blog\/?p=4740"},"modified":"2019-06-25T15:29:27","modified_gmt":"2019-06-25T14:29:27","slug":"constrained-embedding-with-rdkit","status":"publish","type":"post","link":"https:\/\/www.blopig.com\/blog\/2019\/06\/constrained-embedding-with-rdkit\/","title":{"rendered":"Constrained Embedding with RDKit"},"content":{"rendered":"\n<p>This blog post explores the RDKit function ConstrainedEmbed. <\/p>\n\n\n\n<!--more-->\n\n\n\n<p>This blog post was written entirely in a Jupyter notebook. The notebook can be found at the following address:<br><a href=\"https:\/\/nbviewer.jupyter.org\/github\/fimrie\/ConstrainedEmbedding\/blob\/master\/constrained_embedding.ipynb\">https:\/\/nbviewer.jupyter.org\/github\/fimrie\/ConstrainedEmbedding\/blob\/master\/constrained_embedding.ipynb<\/a><\/p>\n\n\n\n<p>The code can be found on GitHub at the following address:<br><a href=\"https:\/\/github.com\/fimrie\/ConstrainedEmbedding\/tree\/master\">https:\/\/github.com\/fimrie\/ConstrainedEmbedding\/tree\/master<\/a><\/p>\n\n\n\n<p>We are working on embedding Jupyter notebooks natively within WordPress.<\/p>\n","protected":false},"excerpt":{"rendered":"<p>This blog post explores the RDKit function ConstrainedEmbed.<\/p>\n","protected":false},"author":50,"featured_media":0,"comment_status":"closed","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"nf_dc_page":"","wikipediapreview_detectlinks":true,"_monsterinsights_skip_tracking":false,"_monsterinsights_sitenote_active":false,"_monsterinsights_sitenote_note":"","_monsterinsights_sitenote_category":0,"ngg_post_thumbnail":0,"_jetpack_memberships_contains_paid_content":false,"footnotes":""},"categories":[187,29,14,221,227,201,15],"tags":[],"ppma_author":[535],"class_list":["post-4740","post","type-post","status-publish","format-standard","hentry","category-cheminformatics","category-code","category-howto","category-python","category-python-code","category-small-molecules","category-technical"],"jetpack_featured_media_url":"","jetpack_sharing_enabled":true,"authors":[{"term_id":535,"user_id":50,"is_guest":0,"slug":"fergus2","display_name":"Fergus Imrie","avatar_url":"https:\/\/secure.gravatar.com\/avatar\/19c18fa7f4d0a2aecc5f69760c6a9f2fc9b493dfe45b1fd333ccb447db9d6a90?s=96&d=mm&r=g","0":null,"1":"","2":"","3":"","4":"","5":"","6":"","7":"","8":""}],"_links":{"self":[{"href":"https:\/\/www.blopig.com\/blog\/wp-json\/wp\/v2\/posts\/4740","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www.blopig.com\/blog\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.blopig.com\/blog\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.blopig.com\/blog\/wp-json\/wp\/v2\/users\/50"}],"replies":[{"embeddable":true,"href":"https:\/\/www.blopig.com\/blog\/wp-json\/wp\/v2\/comments?post=4740"}],"version-history":[{"count":5,"href":"https:\/\/www.blopig.com\/blog\/wp-json\/wp\/v2\/posts\/4740\/revisions"}],"predecessor-version":[{"id":4758,"href":"https:\/\/www.blopig.com\/blog\/wp-json\/wp\/v2\/posts\/4740\/revisions\/4758"}],"wp:attachment":[{"href":"https:\/\/www.blopig.com\/blog\/wp-json\/wp\/v2\/media?parent=4740"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.blopig.com\/blog\/wp-json\/wp\/v2\/categories?post=4740"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.blopig.com\/blog\/wp-json\/wp\/v2\/tags?post=4740"},{"taxonomy":"author","embeddable":true,"href":"https:\/\/www.blopig.com\/blog\/wp-json\/wp\/v2\/ppma_author?post=4740"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}