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Predicting novel drugs for SARS-CoV-2 using machine learning from a >10 million chemical space

There is an urgent need for the identification of effective therapeutics for COVID-19 and we have developed a machine learning drug discovery pipeline to identify several drug candidates. First, we collect assay data for 65 target human proteins known to interact with the SARS-CoV-2 proteins, includ...

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Hlavní autoři: Joel Kowalewski, Anandasankar Ray
Médium: Artigo
Jazyk:Inglês
Vydáno: Elsevier 2020-08-01
Edice:Heliyon
Témata:
On-line přístup:http://www.sciencedirect.com/science/article/pii/S2405844020314833
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