Litcius/Paper detail

Machine learning enabled identification of potential SARS-CoV-2 3CLpro inhibitors based on fixed molecular fingerprints and Graph-CNN neural representations

Jacek Haneczok, Marcin Delijewski

2021Journal of Biomedical Informatics29 citationsDOIOpen Access PDF

Topics & Concepts

Drug repositioningConvolutional neural networkComputer scienceArtificial intelligenceMachine learningGraphDrug discoveryRepurposingCoronavirus disease 2019 (COVID-19)CheminformaticsIdentification (biology)Property (philosophy)DrugBioinformaticsMedicineTheoretical computer scienceBiologyPharmacologyPathologyPhilosophyInfectious disease (medical specialty)DiseaseEpistemologyEcologyBotanyComputational Drug Discovery MethodsAdvanced Graph Neural NetworksMachine Learning in Bioinformatics
Machine learning enabled identification of potential SARS-CoV-2 3CLpro inhibitors based on fixed molecular fingerprints and Graph-CNN neural representations | Litcius