{"id":42443,"date":"2024-01-26T13:34:05","date_gmt":"2024-01-26T13:34:05","guid":{"rendered":"https:\/\/www.innovationnewsnetwork.com\/?p=42443"},"modified":"2024-01-26T13:34:05","modified_gmt":"2024-01-26T13:34:05","slug":"chemical-discovery-accelerated-with-machine-learning-unit-robochem","status":"publish","type":"post","link":"https:\/\/www.innovationnewsnetwork.com\/chemical-discovery-accelerated-with-machine-learning-unit-robochem\/42443\/","title":{"rendered":"Chemical discovery to be accelerated with Machine Learning unit \u2018RoboChem\u2019"},"content":{"rendered":"<h2>University of Amsterdam chemists have developed a robot with an integrated AI-driven Machine Learning Unit to accelerate chemical discovery for the pharmaceutical industry.<\/h2>\n<p>The Machine Learning unit named RoboChem is a benchtop device that can outperform a human chemist in terms of speed and accuracy while also displaying a high level of innovation.<\/p>\n<p>The first-of-its-kind robot has the potential to accelerate the chemical discovery of molecules for pharmaceutical and many other applications.<\/p>\n<p>The results were published in the journal <em><a href=\"https:\/\/www.science.org\/doi\/10.1126\/science.adj1817\" target=\"_blank\" rel=\"noopener\">Science<\/a>. <\/em><\/p>\n<h3>About RoboChem<\/h3>\n<p>Developed by the group of Professor Timothy No\u00ebl at the UvA\u2019s Van\u2018t Hoff Institute for Molecular Sciences, RoboChem is a precise and reliable chemist that can perform a variety of reactions while producing minimal amounts of waste.<\/p>\n<p>No\u00ebl said: \u201cIn a week, we can optimise the synthesis of about ten to twenty molecules. This would take a PhD student several months.\u201d<\/p>\n<p>The system delivers results quickly and provides the settings for scaleup. Because of this, chemical discovery can be accelerated for the pharmaceutical industry.<\/p>\n<h3>How does RoboChem work?<\/h3>\n<p>The researchers are experts in flow chemistry, a new way of performing <a href=\"https:\/\/www.innovationnewsnetwork.com\/chemistry\/\">chemistry<\/a> where systems of small and flexible tubes replace traditional chemistry tools.<\/p>\n<p>In RoboChem, a robotic needle collects starting materials and mixes them together in small volumes of just over half a millilitre. These then flow through the tubing system towards the reactor. There, the light from LEDs triggers the molecular conversion by activating a photocatalyst in the reaction mixture.<\/p>\n<p>The flow continues toward an automated NMR spectrometer that finds the transformed molecules.<\/p>\n<p>The data is fed back in real time to the computer that controls RoboChem.<\/p>\n<p>Efforts to substantiate the results have been put in by the team, with all molecules being isolated and checked manually.<\/p>\n<h3>Replicating previous results for chemical discovery<\/h3>\n<p>RoboChem was also used to replicate previous research published in four randomly selected papers.<\/p>\n<p>The team determined whether RoboChem produced the same or better results.<\/p>\n<p>No\u00ebl said: \u201cIn about 80% of the cases, the system produced better yields. For the other 20%, the results were similar.<\/p>\n<p>\u201cThis leaves me with no doubt that an AI-assisted approach will be beneficial to chemical discovery in the broadest possible sense.\u201d<\/p>\n<h3>Fostering breakthroughs in chemistry with <a href=\"https:\/\/www.innovationnewsnetwork.com\/artificial-intelligence\/\">AI<\/a><\/h3>\n<p>RoboChem and other computerised chemistry will be relevant for the generation of high-quality data.<\/p>\n<p>\u201cIn traditional chemical discovery, only a few molecules are thoroughly researched. Results are then extrapolated to seemingly similar molecules. RoboChem produces a complete and comprehensive dataset where all relevant parameters are obtained for each individual molecule. That provides much more insight,\u201d said No\u00ebl.<\/p>\n<p>The system also records negative data. In current scientific practice, most published data only reflects successful experiments.<\/p>\n<p>\u201cA failed experiment also provides relevant data,\u2019 said No\u00ebl. \u201cBut this can only be found in the researchers&#8217; handwritten lab notes. These are not published and thus unavailable for AI-powered chemistry. RoboChem will change that, too. I have no doubt that if you want to make breakthroughs in chemistry with AI, you will need these kinds of robots.\u201d<\/p>\n","protected":false},"excerpt":{"rendered":"<p>University of Amsterdam chemists have developed a robot with an integrated AI-driven Machine Learning Unit to accelerate chemical discovery.<\/p>\n","protected":false},"author":18,"featured_media":42463,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"_acf_changed":false,"_monsterinsights_skip_tracking":false,"_monsterinsights_sitenote_active":false,"_monsterinsights_sitenote_note":"","_monsterinsights_sitenote_category":0,"footnotes":""},"categories":[24429],"tags":[570,763],"acf":[],"yoast_head":"\n<title>Chemical discovery to be accelerated with Machine Learning unit \u2018RoboChem\u2019<\/title>\n<meta name=\"description\" content=\"University of Amsterdam chemists have developed a robot with an integrated AI-driven Machine Learning Unit to accelerate 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