{"id":235420,"date":"2026-06-23T00:16:00","date_gmt":"2026-06-23T04:16:00","guid":{"rendered":"https:\/\/testing.news-you-need.com\/index.php\/2026\/06\/23\/artificial-intelligence-evaluates-chemical-spectra-in-minutes\/"},"modified":"2026-06-23T00:20:11","modified_gmt":"2026-06-23T04:20:11","slug":"artificial-intelligence-evaluates-chemical-spectra-in-minutes","status":"publish","type":"post","link":"https:\/\/testing.news-you-need.com\/index.php\/2026\/06\/23\/artificial-intelligence-evaluates-chemical-spectra-in-minutes\/","title":{"rendered":"Artificial intelligence evaluates chemical spectra in minutes"},"content":{"rendered":"<p><a href=\"https:\/\/www.chemeurope.com\/en\/news\/1188991\/artificial-intelligence-evaluates-chemical-spectra-in-minutes.html\">Artificial intelligence evaluates chemical spectra in minutes<\/a><\/p>\n<p><a href=\"https:\/\/www.chemeurope.com\/en\/news\/1188991\/artificial-intelligence-evaluates-chemical-spectra-in-minutes.html\">https:\/\/www.chemeurope.com\/en\/news\/1188991\/artificial-intelligence-evaluates-chemical-spectra-in-minutes.html<\/a><\/p>\n<p>Publish Date: <a href=\"publish_date]\">2026-06-23 00:16:00<\/a><\/p>\n<p>Source Domain: <a href=\"www.chemeurope.com\">www.chemeurope.com<\/a><\/p>\n<ul>\n<li>Determining the chemical structure of substances, especially novel compounds, is a time-consuming task for chemists.<\/li>\n<li>Chemists use analytical techniques like NMR spectroscopy, infrared spectroscopy, and mass spectrometry to deduce structures, often solving complex \u201cchemical puzzles\u201d from signals.<\/li>\n<li>Novel molecules pose special challenges as measurement data can be imperfect and may include interferences from impurities.<\/li>\n<li>The new SECS AI system combines two AI approaches to translate spectra into a mathematical representation and refines molecular structures based on measurement data.<\/li>\n<li>SECS produces a ranked list of possible structures with similarity scores, performing at a level comparable to human specialists in identifying molecular structures.<\/li>\n<li>SECS is an adjunct tool complementing human expertise rather than replacing it, offering a second opinion on structure elucidation.<\/li>\n<li>The tool is openly accessible, with the source code, model data, and a test version available for research purposes.<\/li>\n<\/ul>\n<p><\/p>\n","protected":false},"excerpt":{"rendered":"<p>Artificial intelligence evaluates chemical spectra in minutes https:\/\/www.chemeurope.com\/en\/news\/1188991\/artificial-intelligence-evaluates-chemical-spectra-in-minutes.html Publish Date: 2026-06-23 00:16:00 Source Domain: www.chemeurope.com&#8230;<\/p>\n","protected":false},"author":1,"featured_media":235422,"comment_status":"closed","ping_status":"","sticky":false,"template":"","format":"standard","meta":{"fifu_image_url":"https:\/\/img.chemie.de\/Portal\/News\/6a38e41893d4f_55GFx6jH9_.jpg?tr=w-5863,h-4397,cm-extract,x-0,y-0:n-xzoom","fifu_image_alt":"","footnotes":""},"categories":[14],"tags":[20],"class_list":["post-235420","post","type-post","status-publish","format-standard","has-post-thumbnail","hentry","category-artificial-intelligence","tag-artificial-intelligence"],"_links":{"self":[{"href":"https:\/\/testing.news-you-need.com\/index.php\/wp-json\/wp\/v2\/posts\/235420"}],"collection":[{"href":"https:\/\/testing.news-you-need.com\/index.php\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/testing.news-you-need.com\/index.php\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/testing.news-you-need.com\/index.php\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/testing.news-you-need.com\/index.php\/wp-json\/wp\/v2\/comments?post=235420"}],"version-history":[{"count":1,"href":"https:\/\/testing.news-you-need.com\/index.php\/wp-json\/wp\/v2\/posts\/235420\/revisions"}],"predecessor-version":[{"id":235423,"href":"https:\/\/testing.news-you-need.com\/index.php\/wp-json\/wp\/v2\/posts\/235420\/revisions\/235423"}],"wp:featuredmedia":[{"embeddable":true,"href":"https:\/\/testing.news-you-need.com\/index.php\/wp-json\/wp\/v2\/media\/235422"}],"wp:attachment":[{"href":"https:\/\/testing.news-you-need.com\/index.php\/wp-json\/wp\/v2\/media?parent=235420"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/testing.news-you-need.com\/index.php\/wp-json\/wp\/v2\/categories?post=235420"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/testing.news-you-need.com\/index.php\/wp-json\/wp\/v2\/tags?post=235420"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}