Machine Learning Models Identify Inhibitors of SARS-CoV‑2

With the rapidly evolving SARS-CoV-2 variants of concern, there is an urgent need for the discovery of further treatments for the coronavirus disease (COVID-19). Drug repurposing is one of the most rapid strategies for addressing this need, and numerous compounds have already been selected for in vi...

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Veröffentlicht in:Journal of chemical information and modeling 2021-09, Vol.61 (9), p.4224-4235
Hauptverfasser: Gawriljuk, Victor O, Zin, Phyo Phyo Kyaw, Puhl, Ana C, Zorn, Kimberley M, Foil, Daniel H, Lane, Thomas R, Hurst, Brett, Tavella, Tatyana Almeida, Costa, Fabio Trindade Maranhão, Lakshmanane, Premkumar, Bernatchez, Jean, Godoy, Andre S, Oliva, Glaucius, Siqueira-Neto, Jair L, Madrid, Peter B, Ekins, Sean
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Sprache:eng
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