{"id":1058,"date":"2026-05-22T14:23:54","date_gmt":"2026-05-22T14:23:54","guid":{"rendered":"https:\/\/regenspatz.com\/?page_id=1058"},"modified":"2026-05-22T14:23:55","modified_gmt":"2026-05-22T14:23:55","slug":"data-mining","status":"publish","type":"page","link":"https:\/\/regenspatz.com\/?page_id=1058","title":{"rendered":"Data Mining"},"content":{"rendered":"<p><span style=\"font-family: Montserrat;\">CHEMBL is public database of measured bioactivities located at the EBI, Hinxton\/Cambridge.<\/span><br \/>\n<span style=\"font-family: Montserrat;\">Data retrieval can be done via the python API as described in the <a href=\"http:\/\/chembl.blogspot.co.uk\/2014\/05\/a-python-client-for-accessing-chembl.html\">CHEMBL-og blog.<\/a><\/span><br \/>\n<span style=\"font-family: Montserrat;\">Please refer to a <a href=\"https:\/\/github.com\/kemaeleon\/CHEMBL\">github CHEMBL project<\/a> to retrieve bioactivities from the EBI\/CHEMBL database<\/span><span style=\"font-family: Montserrat;\">.<\/span><\/p>\n<p><span style=\"font-family: Montserrat;\">\u00a0python retrieve-compounds.py -h<\/span><br \/>\n<span style=\"font-family: Montserrat;\">usage: backup_retrievals.py [-h] [&#8211;uniprot_id UNIPROT_ID]<\/span><br \/>\n<span style=\"font-family: Montserrat;\">[&#8211;n_struct_pic N_STRUCT_PIC] [&#8211;drugs DRUGS]<\/span><br \/>\n<span style=\"font-family: Montserrat;\">[&#8211;target_confidence TARGET_CONFIDENCE]<\/span><\/p>\n<p><span style=\"font-family: Montserrat;\">The script is was tested on the 5th of February 2018 using:<\/span><\/p>\n<ul>\n<li><span style=\"font-family: Montserrat;\">python 3.6.0.final.0<\/span><\/li>\n<li><span style=\"font-family: Montserrat;\">installed by conda 4.3.27<\/span><\/li>\n<li><span style=\"font-family: Montserrat;\">rdkit 2017.03.2<\/span><\/li>\n<li><span style=\"font-family: Montserrat;\">pycharm community edition 2017.3.3<\/span><\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>CHEMBL is public database of measured bioactivities located at the EBI, Hinxton\/Cambridge. Data retrieval can be done via the python API as described in the CHEMBL-og blog. Please refer to a github CHEMBL project to retrieve bioactivities from the EBI\/CHEMBL database. \u00a0python retrieve-compounds.py -h usage: backup_retrievals.py [-h] [&#8211;uniprot_id UNIPROT_ID] [&#8211;n_struct_pic N_STRUCT_PIC] [&#8211;drugs DRUGS] [&#8211;target_confidence TARGET_CONFIDENCE]&hellip;&nbsp;<a href=\"https:\/\/regenspatz.com\/?page_id=1058\" rel=\"bookmark\">Read More &raquo;<span class=\"screen-reader-text\">Data Mining<\/span><\/a><\/p>\n","protected":false},"author":2,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"_coblocks_attr":"","_coblocks_dimensions":"","_coblocks_responsive_height":"","_coblocks_accordion_ie_support":"","neve_meta_sidebar":"","neve_meta_container":"","neve_meta_enable_content_width":"","neve_meta_content_width":0,"neve_meta_title_alignment":"","neve_meta_author_avatar":"","neve_post_elements_order":"","neve_meta_disable_header":"","neve_meta_disable_footer":"","neve_meta_disable_title":"","neve_meta_reading_time":"","_themeisle_gutenberg_block_has_review":false,"footnotes":""},"class_list":["post-1058","page","type-page","status-publish","hentry"],"aioseo_notices":[],"featured_image_src":"","featured_image_src_square":false,"rbea_author_info":{"display_name":"Maria Brandl","author_link":"https:\/\/regenspatz.com\/?author=2"},"rbea_excerpt_info":"CHEMBL is public database of measured bioactivities located at the EBI, Hinxton\/Cambridge. Data retrieval can be done via the python API as described in the CHEMBL-og blog. Please refer to a github CHEMBL project to retrieve bioactivities from the EBI\/CHEMBL database. \u00a0python retrieve-compounds.py -h usage: backup_retrievals.py [-h] [&#8211;uniprot_id UNIPROT_ID] [&#8211;n_struct_pic N_STRUCT_PIC] [&#8211;drugs DRUGS] [&#8211;target_confidence TARGET_CONFIDENCE]&hellip;&nbsp;<a href=\"https:\/\/regenspatz.com\/?page_id=1058\" rel=\"bookmark\">Read More &raquo;<span class=\"screen-reader-text\">Data Mining<\/span><\/a>","_links":{"self":[{"href":"https:\/\/regenspatz.com\/index.php?rest_route=\/wp\/v2\/pages\/1058","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/regenspatz.com\/index.php?rest_route=\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/regenspatz.com\/index.php?rest_route=\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/regenspatz.com\/index.php?rest_route=\/wp\/v2\/users\/2"}],"replies":[{"embeddable":true,"href":"https:\/\/regenspatz.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=1058"}],"version-history":[{"count":1,"href":"https:\/\/regenspatz.com\/index.php?rest_route=\/wp\/v2\/pages\/1058\/revisions"}],"predecessor-version":[{"id":1059,"href":"https:\/\/regenspatz.com\/index.php?rest_route=\/wp\/v2\/pages\/1058\/revisions\/1059"}],"wp:attachment":[{"href":"https:\/\/regenspatz.com\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=1058"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}