Repurposing therapeutics for COVID-19: Rapid prediction of commercially available drugs through machine learning and docking.

Sovesh MohapatraPrathul NathManisha ChatterjeeNeeladrisingha DasDeepjyoti KalitaPartha RoySoumitra Satapathi

Published in: PloS one (2020)

Our study can help clinical scientists in being more selective in identifying and testing the therapeutic agents for COVID-19 treatment. The ML based approach for drug discovery as reported here can be a futuristic smart drug designing strategy for community applications.

Keyphrases

drug discovery
coronavirus disease
sars cov
machine learning
healthcare
molecular dynamics
mental health
small molecule
molecular dynamics simulations
artificial intelligence
big data
combination therapy
smoking cessation