Machine learning prediction of 3CL SARS-CoV-2 docking scores
Lukáš Bučinský, Dušan Bortňák, Marián Gall, Ján Matúška, Viktor Milata, Michal Pitoňák, Marek Štekláč, Daniel Végh, Dávid Zajaček
Topics & Concepts
Docking (animal)RepurposingArtificial intelligenceArtificial neural networkDrug repositioningMachine learningComputer scienceTraining setBiologyDrugPharmacologyNursingEcologyMedicineComputational Drug Discovery MethodsMachine Learning in Materials ScienceTuberculosis Research and Epidemiology