Machine learning techniques applied to the drug design and discovery of new antivirals: a brief look over the past decade
Mateus Sá Magalhães Serafim, Valtair Severino dos Santos, Jadson Castro Gertrudes, Vinícius Gonçalves Maltarollo, Káthia M. Honório
Abstract
: From classical ML techniques, it was possible to boost the searches for antivirals. However, from the emergence of new algorithms and the improvement in old approaches, promising results will be achieved every day, as we have observed in the case of SARS-CoV-2. Recent experience has shown that it is possible to use ML to discover new antiviral candidates from virtual screening and drug repurposing.
Topics & Concepts
Drug discoveryRepurposingComputer scienceDrug repositioningVirtual screeningData scienceDrugArtificial intelligenceMedicineBioinformaticsPharmacologyBiologyEcologyComputational Drug Discovery Methodsvaccines and immunoinformatics approachesSARS-CoV-2 and COVID-19 Research