{"id":7311,"date":"2012-07-22T08:37:10","date_gmt":"2012-07-22T07:37:10","guid":{"rendered":"http:\/\/www.ch.imperial.ac.uk\/rzepa\/blog\/?p=7311"},"modified":"2012-07-24T10:39:51","modified_gmt":"2012-07-24T09:39:51","slug":"qr-codes-and-inchi-keys","status":"publish","type":"post","link":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=7311","title":{"rendered":"QR codes and InChI strings."},"content":{"rendered":"<div class=\"kcite-section\" kcite-section-id=\"7311\">\n<p>A month or so ago at a workshop I was attending, a speaker included in his introductory slide a QR (<a href=\"http:\/\/en.wikipedia.org\/wiki\/QR_code\" target=\"_blank\">Quick Response<\/a>) Code. It is a feature of most digital eco-systems that there is probably already &#8220;an app for it&#8221;. So I thought I would jump on the band wagon by coding an <a href=\"http:\/\/www.iupac.org\/home\/publications\/e-resources\/inchi.html\" target=\"_blank\">InChI string<\/a>. Here it is below:<\/p>\n<div id=\"attachment_7300\" style=\"width: 310px\" class=\"wp-caption aligncenter\"><a title=\"QR Code generator\" href=\"http:\/\/www.qrdvark.com\/qr-generator\/\" target=\"_blank\"><img loading=\"lazy\" decoding=\"async\" aria-describedby=\"caption-attachment-7300\" class=\"size-full wp-image-7300\" title=\"chart-2\" src=\"http:\/\/www.ch.imperial.ac.uk\/rzepa\/blog\/wp-content\/uploads\/2012\/07\/chart-2.png\" alt=\"\" width=\"300\" height=\"300\" \/><\/a><p id=\"caption-attachment-7300\" class=\"wp-caption-text\">QRCode for an InChI string. Point your smart device at it, and see the InChI appear!<\/p><\/div>\n<p>You then invoke an appropriate app (I used <a title=\"Open in iTunes\" href=\"http:\/\/itunes.apple.com\/gb\/app\/qr-reader-for-iphone\/id368494609?mt=8\" target=\"_blank\">QR Reader for iPhone<\/a>, but there are many), point it at the screen (a fair bit of wobble seems tolerated) and you get the InChI. Are there any hackers out there that could process the resulting InChI and display not so much it, but the molecule it corresponds to? A Quick mash-up I should imagine (its probably already been done!).<\/p>\n<p>Here is another QR Code, this time for another post on this blog (more serious than this one!).\u00a0<\/p>\n<div id=\"attachment_7315\" style=\"width: 310px\" class=\"wp-caption aligncenter\"><a title=\"QR Code generator\" href=\"http:\/\/www.qrdvark.com\/qr-generator\/\" target=\"_blank\"><img loading=\"lazy\" decoding=\"async\" aria-describedby=\"caption-attachment-7315\" class=\"size-full wp-image-7315\" title=\"chart-3\" src=\"http:\/\/www.ch.imperial.ac.uk\/rzepa\/blog\/wp-content\/uploads\/2012\/07\/chart-11.png\" alt=\"\" width=\"300\" height=\"300\" \/><\/a><p id=\"caption-attachment-7315\" class=\"wp-caption-text\">QR URL code for using on a mobile device.<\/p><\/div>\n<p>If you click on either QR image above, this will take you to one (of several) QR code generators. I found that selecting error correction code <strong>H<\/strong> seems to make recognition virtually instant. Suddenly an image popped into my mind, of a class of students in a lecture, pointing their device at my InChI codes on the projected screen, and twiddling with the molecules during my lecture (they probably never listen to me anyway \ud83d\ude42 This may not be as unlikely as it seems. I am in fact compositing an iTunesU course at the moment. For a sneak \u03b2-style preview, open this page on an iPad and click on<a title=\"Open in iTunesU\" href=\"https:\/\/itunesu.itunes.apple.com\/audit\/COEKCMXMSD\" target=\"_blank\"> this link<\/a> to load the course up (or use the QR code below). You probably need to also load up the<a title=\"Load iTunesU\" href=\"http:\/\/itunes.apple.com\/gb\/app\/itunes-u\/id490217893?mt=8\" target=\"_blank\">\u00a0iTunesU<\/a> app first.\u00a0<\/p>\n<div id=\"attachment_7339\" style=\"width: 310px\" class=\"wp-caption aligncenter\"><img loading=\"lazy\" decoding=\"async\" aria-describedby=\"caption-attachment-7339\" class=\"size-full wp-image-7339\" title=\"chart-4\" src=\"http:\/\/www.ch.imperial.ac.uk\/rzepa\/blog\/wp-content\/uploads\/2012\/07\/chart-4.png\" alt=\"\" width=\"300\" height=\"300\" \/><p id=\"caption-attachment-7339\" class=\"wp-caption-text\">QR Code for iTunesU course.<\/p><\/div>\n<p>Comments welcome, QR code below!.<br \/> <img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-7328\" title=\"chart-3\" src=\"http:\/\/www.ch.imperial.ac.uk\/rzepa\/blog\/wp-content\/uploads\/2012\/07\/chart-32.png\" alt=\"\" width=\"300\" height=\"300\" \/><\/p>\n<p>&nbsp;<\/p>\n<!-- kcite active, but no citations found -->\n<\/div> <!-- kcite-section 7311 -->","protected":false},"excerpt":{"rendered":"<p>A month or so ago at a workshop I was attending, a speaker included in his introductory slide a QR (Quick Response) Code. It is a feature of most digital eco-systems that there is probably already &#8220;an app for it&#8221;. So I thought I would jump on the band wagon by coding an InChI string. [&hellip;]<\/p>\n","protected":false},"author":1,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"_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},"jetpack_post_was_ever_published":false},"categories":[2],"tags":[891,883,328,38,882,884,894,892,373],"ppma_author":[2661],"class_list":["post-7311","post","type-post","status-publish","format-standard","hentry","category-chemical-it","tag-digital-eco-systems","tag-inchi-string","tag-ipad","tag-iphone","tag-itunesu","tag-qr-code","tag-skolnik","tag-speaker","tag-tutorial-material"],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v27.7 - https:\/\/yoast.com\/product\/yoast-seo-wordpress\/ -->\n<title>QR codes and InChI strings. - 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=7311\" \/>\n<meta property=\"og:locale\" content=\"en_GB\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"QR codes and InChI strings. - Henry Rzepa&#039;s Blog\" \/>\n<meta property=\"og:description\" content=\"A month or so ago at a workshop I was attending, a speaker included in his introductory slide a QR (Quick Response) Code. It is a feature of most digital eco-systems that there is probably already &#8220;an app for it&#8221;. So I thought I would jump on the band wagon by coding an InChI string. [&hellip;]\" \/>\n<meta property=\"og:url\" content=\"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=7311\" \/>\n<meta property=\"og:site_name\" content=\"Henry Rzepa&#039;s Blog\" \/>\n<meta property=\"article:published_time\" content=\"2012-07-22T07:37:10+00:00\" \/>\n<meta property=\"article:modified_time\" content=\"2012-07-24T09:39:51+00:00\" \/>\n<meta property=\"og:image\" content=\"http:\/\/www.ch.imperial.ac.uk\/rzepa\/blog\/wp-content\/uploads\/2012\/07\/chart-2.png\" \/>\n<meta name=\"author\" content=\"Henry Rzepa\" \/>\n<meta name=\"twitter:card\" content=\"summary_large_image\" \/>\n<meta name=\"twitter:label1\" content=\"Written by\" \/>\n\t<meta name=\"twitter:data1\" content=\"Henry Rzepa\" \/>\n\t<meta name=\"twitter:label2\" content=\"Estimated reading time\" \/>\n\t<meta name=\"twitter:data2\" content=\"2 minutes\" \/>\n<!-- \/ Yoast SEO plugin. -->","yoast_head_json":{"title":"QR codes and InChI strings. - Henry Rzepa&#039;s Blog","robots":{"index":"index","follow":"follow","max-snippet":"max-snippet:-1","max-image-preview":"max-image-preview:large","max-video-preview":"max-video-preview:-1"},"canonical":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=7311","og_locale":"en_GB","og_type":"article","og_title":"QR codes and InChI strings. - Henry Rzepa&#039;s Blog","og_description":"A month or so ago at a workshop I was attending, a speaker included in his introductory slide a QR (Quick Response) Code. 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An update.","author":"Henry Rzepa","date":"July 21, 2012","format":false,"excerpt":"I blogged about this two years ago\u00a0and thought a brief update might be in order now. To support the discussions here, I often perform calculations, and most of these are then deposited into a DSpace digital repository, along with metadata. Anyone wishing to have the full details of any calculation\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":24314,"url":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=24314","url_meta":{"origin":7311,"position":1},"title":"A comparison of searches based on metadata records from three (update: five) research repositories.","author":"Henry Rzepa","date":"September 28, 2021","format":false,"excerpt":"In the previous blog post, I looked at the metadata records registered with DataCite for some chemical computational modelling files as published in three different repositories. Here I take it one stage further, by looking at how searches of the DataCite metadata store for three particular values of the metadata\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":18385,"url":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=18385","url_meta":{"origin":7311,"position":2},"title":"Challenges in reliably representing the chemistry of crystal structures.","author":"Henry Rzepa","date":"May 29, 2017","format":false,"excerpt":"The title here is taken from a presentation made by Ian Bruno from CCDC at the recent conference on Open Science. It also addresses the theme here\u00a0of the issues that might arise in assigning identifiers for any given molecule. The structure was represented as shown by the original authors, in\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":"https:\/\/i0.wp.com\/www.ch.ic.ac.uk\/rzepa\/blog\/wp-content\/uploads\/2017\/05\/Sn-S-non-1024x756.jpg?resize=350%2C200","width":350,"height":200},"classes":[]},{"id":15907,"url":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=15907","url_meta":{"origin":7311,"position":3},"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":83,"url":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=83","url_meta":{"origin":7311,"position":4},"title":"On the importance of  Digital repositories in Chemistry","author":"Henry Rzepa","date":"April 3, 2009","format":false,"excerpt":"The preceeding blog entries contain stories about chemical behaviour. If you have clicked on the diagrams, you may even have gotten a Jmol view of the relevant molecules popping up. But if you are truly curious, you may even have the urge to acquire the relevant 3D information about 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":"blog11","src":"https:\/\/i0.wp.com\/www.ch.ic.ac.uk\/rzepa\/blog\/wp-content\/uploads\/2009\/04\/blog11.jpg?resize=350%2C200","width":350,"height":200},"classes":[]},{"id":12803,"url":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/?p=12803","url_meta":{"origin":7311,"position":5},"title":"Data galore!  134 kilomolecules.","author":"Henry Rzepa","date":"August 6, 2014","format":false,"excerpt":"I do go on a lot about the importance of having modern access to data. And so the appearance of this article immediately struck me as important. It is appropriately enough in the new journal Scientific Data. The data contain computed properties at the B3LYP\/6-31G(2df,p) level for 133,885 species with\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","author_category":"1","first_name":"Henry","last_name":"Rzepa","user_url":"https:\/\/orcid.org\/0000-0002-8635-8390","job_title":"","description":"Henry Rzepa is Emeritus Professor of Computational Chemistry at Imperial College London."}],"_links":{"self":[{"href":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/index.php?rest_route=\/wp\/v2\/posts\/7311","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=7311"}],"version-history":[{"count":25,"href":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/index.php?rest_route=\/wp\/v2\/posts\/7311\/revisions"}],"predecessor-version":[{"id":7323,"href":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/index.php?rest_route=\/wp\/v2\/posts\/7311\/revisions\/7323"}],"wp:attachment":[{"href":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=7311"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=7311"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=7311"},{"taxonomy":"author","embeddable":true,"href":"https:\/\/www.ch.ic.ac.uk\/rzepa\/blog\/index.php?rest_route=%2Fwp%2Fv2%2Fppma_author&post=7311"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}