<i>De Novo</i> Design of New Chemical Entities for SARS-CoV-2 Using Artificial Intelligence
Navneet Bung, Sowmya Ramaswamy Krishnan, Gopalakrishnan Bulusu, Arijit Roy
Abstract
We have identified 33 potential compounds as ideal candidates for further synthesis and testing against SARS-CoV-2.
Topics & Concepts
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2)Coronavirus disease 2019 (COVID-19)2019-20 coronavirus outbreakComputational biologyComputer scienceVirologyBiologyMedicineInfectious disease (medical specialty)OutbreakPathologyDiseaseComputational Drug Discovery MethodsMetabolomics and Mass Spectrometry StudiesMachine Learning in Materials Science