Drug discovery

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Building AI models that understand chemical principles

ai, AI (Artificial Intelligence), Alumni/ae, Artificial Intelligence, Chemical engineering, Chemistry, Computer science and technology, Drug discovery, Electrical engineering and computer science (EECS), Faculty, Machine Learning, MIT Schwarzman College of Computing, Profile, School of Engineering

Among all of the possible chemical compounds, it’s estimated that between 1020 and 1060 may hold potential as small-molecule drugs.Evaluating each of those compounds experimentally would be far too time-consuming for chemists. So, in recent years, researchers have begun using artificial intelligence to help identify compounds that could make good drug candidates. One of those researchers is MIT […]

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AI maps how a new antibiotic targets gut bacteria

Algorithms, Antibiotics, Artificial Intelligence, Bacteria, Computer Science and Artificial Intelligence Laboratory (CSAIL), Computer science and technology, Disease, Drug development, Drug discovery, Electrical engineering and computer science (EECS), Health care, Health sciences and technology, Jameel Clinic, Machine Learning, Medicine, MIT Schwarzman College of Computing, Research, School of Engineering, Viruses

For patients with inflammatory bowel disease, antibiotics can be a double-edged sword. The broad-spectrum drugs often prescribed for gut flare-ups can kill helpful microbes alongside harmful ones, sometimes worsening symptoms over time. When fighting gut inflammation, you don’t always want to bring a sledgehammer to a knife fight.Researchers at MIT’s Computer Science and Artificial Intelligence

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