{"id":681,"date":"2020-04-18T00:46:26","date_gmt":"2020-04-18T00:46:26","guid":{"rendered":"https:\/\/williamslab.wordpress.ncsu.edu\/?p=681"},"modified":"2020-04-18T00:46:26","modified_gmt":"2020-04-18T00:46:26","slug":"cheminformatics-analysis-and-modeling-with-macrolactonedb","status":"publish","type":"post","link":"https:\/\/williamslab.wordpress.ncsu.edu\/?p=681","title":{"rendered":"Cheminformatics Analysis and Modeling with MacrolactoneDB"},"content":{"rendered":"<p><a href=\"https:\/\/www.nature.com\/articles\/s41598-020-63192-4\">MacrolactoneDB<\/a> is a central repository of macrolactones and their bioactivities. It enables machine learning to inform synthetic biology and medicinal chemistry efforts for designing new\/better drugs. Our new paper in<a href=\"https:\/\/www.nature.com\/articles\/s41598-020-63192-4\"> Nature Scientific Reports<\/a> is the result of a collaboration with Phyo Phyo Kyaw Zin and Sean Ekins (<a href=\"http:\/\/www.collaborationspharma.com\">Collaborations Pharmaceuticals<\/a>).<\/p>\n<p><a href=\"https:\/\/williamslab.wordpress.ncsu.edu\/?attachment_id=682\" rel=\"attachment wp-att-682\"><img loading=\"lazy\" decoding=\"async\" class=\"alignleft size-medium wp-image-682\" src=\"https:\/\/williamslab.wordpress.ncsu.edu\/files\/2020\/04\/twitter_a01b0ae774fc0d47051c72a6ac23f8a4-600x337.jpeg\" alt=\"\" width=\"600\" height=\"337\" srcset=\"https:\/\/williamslab.wordpress.ncsu.edu\/files\/2020\/04\/twitter_a01b0ae774fc0d47051c72a6ac23f8a4-600x337.jpeg 600w, https:\/\/williamslab.wordpress.ncsu.edu\/files\/2020\/04\/twitter_a01b0ae774fc0d47051c72a6ac23f8a4-500x281.jpeg 500w, https:\/\/williamslab.wordpress.ncsu.edu\/files\/2020\/04\/twitter_a01b0ae774fc0d47051c72a6ac23f8a4.jpeg 687w\" sizes=\"auto, (max-width: 600px) 100vw, 600px\" \/><\/a><\/p>\n","protected":false},"excerpt":{"rendered":"<p>MacrolactoneDB is a central repository of macrolactones and their bioactivities. It enables machine learning to inform synthetic biology and medicinal chemistry efforts for designing new\/better drugs. Our new paper in Nature Scientific Reports is the result of a collaboration with Phyo Phyo Kyaw Zin and Sean Ekins (Collaborations Pharmaceuticals).<\/p>\n","protected":false},"author":767,"featured_media":0,"comment_status":"closed","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"_acf_changed":false,"ncst_dynamicHeaderBlockName":"","ncst_dynamicHeaderData":"","ncst_content_audit_freq":"","ncst_content_audit_date":"","ncst_content_audit_display":false,"ncst_backToTopFlag":"","footnotes":""},"categories":[8],"tags":[],"class_list":["post-681","post","type-post","status-publish","format-standard","hentry","category-lab-news"],"displayCategory":null,"acf":{"ncst_posts_meta_modified_date":null},"_links":{"self":[{"href":"https:\/\/williamslab.wordpress.ncsu.edu\/index.php?rest_route=\/wp\/v2\/posts\/681","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/williamslab.wordpress.ncsu.edu\/index.php?rest_route=\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/williamslab.wordpress.ncsu.edu\/index.php?rest_route=\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/williamslab.wordpress.ncsu.edu\/index.php?rest_route=\/wp\/v2\/users\/767"}],"replies":[{"embeddable":true,"href":"https:\/\/williamslab.wordpress.ncsu.edu\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=681"}],"version-history":[{"count":1,"href":"https:\/\/williamslab.wordpress.ncsu.edu\/index.php?rest_route=\/wp\/v2\/posts\/681\/revisions"}],"predecessor-version":[{"id":683,"href":"https:\/\/williamslab.wordpress.ncsu.edu\/index.php?rest_route=\/wp\/v2\/posts\/681\/revisions\/683"}],"wp:attachment":[{"href":"https:\/\/williamslab.wordpress.ncsu.edu\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=681"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/williamslab.wordpress.ncsu.edu\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=681"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/williamslab.wordpress.ncsu.edu\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=681"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}