Generating novel molecule for target protein (SARS-CoV-2) using drug–target interaction based on graph neural network
Amit Ranjan, Shivansh Shukla, Deepanjan Datta, Rajiv Misra
2021Network Modeling Analysis in Health Informatics and Bioinformatics18 citationsDOIOpen Access PDF
Topics & Concepts
Computational biologyMoleculeGraphChemical spaceDrug discoverySmall moleculeChemistryComputer scienceBiologyArtificial intelligenceBioinformaticsBiochemistryTheoretical computer scienceOrganic chemistryComputational Drug Discovery MethodsMachine Learning in Materials ScienceProtein Structure and Dynamics