{"id":2390,"date":"2017-02-16T15:23:54","date_gmt":"2017-02-16T15:23:54","guid":{"rendered":"https:\/\/nextmovesoftware.com\/blog\/?p=2390"},"modified":"2017-02-16T16:35:30","modified_gmt":"2017-02-16T16:35:30","slug":"nh-mc-ts-and-og-spell-trouble","status":"publish","type":"post","link":"https:\/\/nextmovesoftware.com\/blog\/2017\/02\/16\/nh-mc-ts-and-og-spell-trouble\/","title":{"rendered":"Nh, Mc, Ts and Og spell trouble"},"content":{"rendered":"<p>John and Roger recently published a commentary in the Journal of Cheminformatics on the <a href=\"http:\/\/jcheminf.springeropen.com\/articles\/10.1186\/s13321-017-0196-0\">&#8220;Technical implications of new IUPAC elements in cheminformatics&#8221;<\/a>. It&#8217;s fairly short, and focuses on ambiguities that may arise in two areas: (1) interpreting chemical sketches and (2) SMARTS patterns.<\/p>\n<p>Regarding (1), the main point is that Ts, the new symbol for Tennessine, is currently widely used to indicate Tosyl. While one could instead use Tos, a quick look at usage in sketches from recent patents indicates that Ts is 20 times more common than Tos.<\/p>\n<p>Section (2) is a bit more technical, and covers ambiguities which must be addressed for writers of SMARTS parsers and generators, which may misinterpret existing SMARTS when adding support for the new elements.<\/p>\n","protected":false},"excerpt":{"rendered":"<p>John and Roger recently published a commentary in the Journal of Cheminformatics on the &#8220;Technical implications of new IUPAC elements in cheminformatics&#8221;. It&#8217;s fairly short, and focuses on ambiguities that may arise in two areas: (1) interpreting chemical sketches and (2) SMARTS patterns. Regarding (1), the main point is that Ts, the new symbol for &hellip; <a href=\"https:\/\/nextmovesoftware.com\/blog\/2017\/02\/16\/nh-mc-ts-and-og-spell-trouble\/\" class=\"more-link\">Continue reading <span class=\"screen-reader-text\">Nh, Mc, Ts and Og spell trouble<\/span><\/a><\/p>\n","protected":false},"author":2,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[1],"tags":[],"_links":{"self":[{"href":"https:\/\/nextmovesoftware.com\/blog\/wp-json\/wp\/v2\/posts\/2390"}],"collection":[{"href":"https:\/\/nextmovesoftware.com\/blog\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/nextmovesoftware.com\/blog\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/nextmovesoftware.com\/blog\/wp-json\/wp\/v2\/users\/2"}],"replies":[{"embeddable":true,"href":"https:\/\/nextmovesoftware.com\/blog\/wp-json\/wp\/v2\/comments?post=2390"}],"version-history":[{"count":10,"href":"https:\/\/nextmovesoftware.com\/blog\/wp-json\/wp\/v2\/posts\/2390\/revisions"}],"predecessor-version":[{"id":2400,"href":"https:\/\/nextmovesoftware.com\/blog\/wp-json\/wp\/v2\/posts\/2390\/revisions\/2400"}],"wp:attachment":[{"href":"https:\/\/nextmovesoftware.com\/blog\/wp-json\/wp\/v2\/media?parent=2390"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/nextmovesoftware.com\/blog\/wp-json\/wp\/v2\/categories?post=2390"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/nextmovesoftware.com\/blog\/wp-json\/wp\/v2\/tags?post=2390"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}