{"id":3723,"date":"2011-03-30T14:08:15","date_gmt":"2011-03-30T14:08:15","guid":{"rendered":"http:\/\/www.ch.imperial.ac.uk\/rzepa\/blog\/?p=3723"},"modified":"2011-04-01T15:41:38","modified_gmt":"2011-04-01T15:41:38","slug":"chemicalizing-a-blog","status":"publish","type":"post","link":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=3723","title":{"rendered":"Chemicalizing a blog."},"content":{"rendered":"<div class=\"kcite-section\" kcite-section-id=\"3723\">\n<p>I am at the  ACS meeting, attending a session on chemistry and the  Internet. This post was inspired by <a href=\"http:\/\/www.chemicalize.org\/\" target=\"_blank\">Chemicalize<\/a>, a service offered by  ChemAxon, which scans a post like this one, and identifies molecules named. I had previously used generic post taggers, which frankly did not work well in identifying chemical content.  So this is by way of an experiment.  I list below some of the substances about which I have blogged, to see how the chemicalizer works.<\/p>\n<ol>\n<li> Mauveine<\/li>\n<li> Copper phthalocyanine<\/li>\n<li>Lapis Lazuli (this is a difficult one, since the active ingredient is actually trisulfide radical anion or S<sub>3<\/sub><sup>-.<\/sup>; lets see if any of that is picked up!)<\/li>\n<li>Cyanohydrin (a generic term, but more specifically HCN + Formaldehyde)<\/li>\n<li>diberyllium<\/li>\n<li>Calixarene (another generic term)<\/li>\n<li>1,3-dimethylcyclobutadiene and carbon dioxide<\/li>\n<li>Z-DNA  and  Z-d(CGCG)<sub>2<\/sub><\/li>\n<li>Cyclohexane, cyclohexene, cyclohexadiene and benzene (the third of these is ambiguous as  I have written it)<\/li>\n<li>CH<sub>3<\/sub>NO (a formula, with many isomers of course)<\/li>\n<li>Dicarbon or C<sub>2 <\/sub>and a cyonium cation or \u00a0CN<sup>+<\/sup><\/li>\n<\/ol>\n<p>That should suffice to see how such a list can be chemicalized.<\/p>\n<!-- kcite active, but no citations found -->\n<\/div> <!-- kcite-section 3723 -->","protected":false},"excerpt":{"rendered":"<p>I am at the ACS meeting, attending a session on chemistry and the Internet. This post was inspired by Chemicalize, a service offered by ChemAxon, which scans a post like this one, and identifies molecules named. I had previously used generic post taggers, which frankly did not work well in identifying chemical content. So this [&hellip;]<\/p>\n","protected":false},"author":1,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"jetpack_post_was_ever_published":false,"_jetpack_newsletter_access":"","_jetpack_dont_email_post_to_subs":false,"_jetpack_newsletter_tier_id":0,"_jetpack_memberships_contains_paywalled_content":false,"_jetpack_memberships_contains_paid_content":false,"activitypub_content_warning":"","activitypub_content_visibility":"","activitypub_max_image_attachments":5,"activitypub_interaction_policy_quote":"anyone","activitypub_status":"","footnotes":"","jetpack_publicize_message":"","jetpack_publicize_feature_enabled":true,"jetpack_social_post_already_shared":false,"jetpack_social_options":{"image_generator_settings":{"template":"highway","default_image_id":0,"font":"","enabled":false},"version":2}},"categories":[2],"tags":[32,499],"ppma_author":[2661],"class_list":["post-3723","post","type-post","status-publish","format-standard","hentry","category-chemical-it","tag-acs","tag-chemical-content"],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v27.5 - https:\/\/yoast.com\/product\/yoast-seo-wordpress\/ -->\n<title>Chemicalizing a blog. - Henry Rzepa&#039;s Blog<\/title>\n<meta name=\"robots\" content=\"index, follow, max-snippet:-1, max-image-preview:large, max-video-preview:-1\" \/>\n<link rel=\"canonical\" href=\"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=3723\" \/>\n<meta property=\"og:locale\" content=\"en_GB\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"Chemicalizing a blog. - Henry Rzepa&#039;s Blog\" \/>\n<meta property=\"og:description\" content=\"I am at the ACS meeting, attending a session on chemistry and the Internet. This post was inspired by Chemicalize, a service offered by ChemAxon, which scans a post like this one, and identifies molecules named. I had previously used generic post taggers, which frankly did not work well in identifying chemical content. 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This post was inspired by Chemicalize, a service offered by ChemAxon, which scans a post like this one, and identifies molecules named. I had previously used generic post taggers, which frankly did not work well in identifying chemical content. 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I gave a talk about it at the recent ACS meeting in Salt Lake City. If you want to see the details of the lab, do go here. The talk itself contains further links and examples. Perhaps\u2026","rel":"","context":"In &quot;Chemical IT&quot;","block_context":{"text":"Chemical IT","link":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?cat=2"},"img":{"alt_text":"","src":"","width":0,"height":0},"classes":[]},{"id":12194,"url":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=12194","url_meta":{"origin":3723,"position":1},"title":"Five things you did not know about (fork) handles.","author":"Henry Rzepa","date":"March 18, 2014","format":false,"excerpt":"OK, you have to be British to understand the pun in the title, a famous comedy skit about four candles. Back to science, and my mention of some crystal data now having a DOI in the previous post. I thought it might be fun to replicate the contents of one\u2026","rel":"","context":"In &quot;Chemical IT&quot;","block_context":{"text":"Chemical IT","link":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?cat=2"},"img":{"alt_text":"","src":"","width":0,"height":0},"classes":[]},{"id":15907,"url":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=15907","url_meta":{"origin":3723,"position":2},"title":"Global initiatives in research data management and discovery: searching metadata.","author":"Henry Rzepa","date":"March 7, 2016","format":false,"excerpt":"The upcoming ACS national meeting in San Diego has a CINF\u00a0(chemical information division) session entitled \"Global initiatives in research data management and discovery\". I have highlighted here just one slide from my contribution to this session, which addresses the discovery aspect of the session. Data, if you think about it,\u2026","rel":"","context":"In &quot;Chemical IT&quot;","block_context":{"text":"Chemical IT","link":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?cat=2"},"img":{"alt_text":"","src":"","width":0,"height":0},"classes":[]},{"id":1516,"url":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=1516","url_meta":{"origin":3723,"position":3},"title":"Semantic Blogs","author":"Henry Rzepa","date":"January 17, 2010","format":false,"excerpt":"A Semantic blog is one in which the system at least in part understands about (some of the) concepts and topics that are in the content. The idea is that this content can be more intelligently (is that the correct word?) and importantly, automatically searched, harvested, and connected to the\u2026","rel":"","context":"In &quot;Chemical IT&quot;","block_context":{"text":"Chemical IT","link":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?cat=2"},"img":{"alt_text":"","src":"","width":0,"height":0},"classes":[]},{"id":16704,"url":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=16704","url_meta":{"origin":3723,"position":4},"title":"Chemistry preprint servers (revisited).","author":"Henry Rzepa","date":"August 16, 2016","format":false,"excerpt":"This week the ACS announced its intention to establish\u00a0a \u201cChemRxiv preprint server to promote early research sharing\". This was first tried quite a few years ago, following the example of especially the physicists. As I recollect the experiment lasted about a year, attracted few submissions and even fewer of high\u2026","rel":"","context":"In &quot;Chemical IT&quot;","block_context":{"text":"Chemical IT","link":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?cat=2"},"img":{"alt_text":"","src":"","width":0,"height":0},"classes":[]},{"id":1459,"url":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=1459","url_meta":{"origin":3723,"position":5},"title":"How long will a blog last?  ArchivePress","author":"Henry Rzepa","date":"January 9, 2010","format":false,"excerpt":"After around 40 posts here, I decided to take a look at the whole effort and ask some questions. For example Should (scientific) blogs be used to report new science, or merely opinion on existing science (see this blog also)? If the former, should they be abstracted in the manner\u2026","rel":"","context":"In &quot;Chemical IT&quot;","block_context":{"text":"Chemical IT","link":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?cat=2"},"img":{"alt_text":"","src":"","width":0,"height":0},"classes":[]}],"jetpack_likes_enabled":false,"authors":[{"term_id":2661,"user_id":1,"is_guest":0,"slug":"admin","display_name":"Henry Rzepa","avatar_url":"https:\/\/secure.gravatar.com\/avatar\/897b6740f7f599bca7942cdf7d7914af5988937ae0e3869ab09aebb87f26a731?s=96&d=blank&r=g","0":null,"1":"","2":"","3":"","4":"","5":"","6":"","7":"","8":""}],"_links":{"self":[{"href":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/index.php?rest_route=\/wp\/v2\/posts\/3723","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/index.php?rest_route=\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/index.php?rest_route=\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/index.php?rest_route=\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=3723"}],"version-history":[{"count":0,"href":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/index.php?rest_route=\/wp\/v2\/posts\/3723\/revisions"}],"wp:attachment":[{"href":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=3723"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=3723"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=3723"},{"taxonomy":"author","embeddable":true,"href":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/index.php?rest_route=%2Fwp%2Fv2%2Fppma_author&post=3723"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}