A Smarter Way To Develop New Drugs Using Artificial Intelligence


MIT scientists have developed a machine learning model that proposes new molecules for the drug discovery process, while ensuring the molecules it suggests can actually be synthesized in a laboratory. A new artificial intelligence technique has been developed that only proposes candidate molecules that can actually be produced in a lab. Pharmaceutical companies are using artificial intelligence to streamline the process of discovering new medicines. Machine-learning models can propose new molecules that have specific properties which could fight certain diseases, accomplishing in minutes what might take humans months to achieve manually. But there's a major hurdle that holds these systems back: The models frequently suggest new molecular structures that are difficult or impossible to produce in a laboratory.

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