Scientists Identify Hundreds of Drugs to Treat COVID-19 Usin
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Scientists, including one of Indian-origin, have used machine learning (ML) to identify hundreds of new potential drugs that could help treat COVID-19.

Drug discovery pipeline is a type of computational strategy linked to artificial intelligence -- a computer algorithm that learns to predict activity through trial and error, improving over time.

For the findings, the research team used small numbers of previously known ligands for 65 human proteins that are known to interact with SARS-CoV-2 proteins.

They generated machine learning models for each of the human proteins. Researchers were thus able to create a database of chemicals whose structures were predicted as interactors of the 65 protein targets.

The team used their machine learning models to screen more than 10 million commercially available small molecules from a database comprised of 200 million chemicals, and identified the best-in-class hits for the 65 human proteins that interact with SARS-CoV-2 proteins.

Taking it a step further, they identified compounds among the hits that are already FDA approved.

They also used machine learning models to compute toxicity, which helped them reject potentially toxic candidates. This helped them prioritize the chemicals that were predicted to interact with SARS-CoV-2 targets.

Source: https://www.cell.com/heliyon/fulltext/S2405-8440(20)31483-3
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