Article

A Novel de novo Design Study of Potent SARS-CoV-2 Main Protease Inhibitors Based on Reinforcement Learning and Molecular Docking

2023-08-02

Abstract excerpt

The outbreak of coronavirus disease 2019 (COVID-19) SARS-CoV-2 has caused widespread panic in the world and has mutated at an extremely rapid rate and thus there is an urgent need for the development of COVID-19 inhibitors. In this study, we used a de novo design method, which integrates a recurrent neural network, reinforcement learning and molecular docking to generate inhibitors of SARS-CoV-2 main protease. App...

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Literature Corpus work: 73f3d05a-0a17-5833-a6a0-200b48d33cb3
DOI: 10.21203/rs.3.rs-3199639/v1

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