Fake it until you make it? Generative de novo design and virtual screening of synthesizable molecules
Megan Stanley, Marwin Segler
Topics & Concepts
ExpeditingVirtual screeningComputer scienceWorkflowGenerative grammarPerspective (graphical)Data scienceComputational biologyArtificial intelligenceDrug discoveryBioinformaticsSystems engineeringEngineeringBiologyDatabaseMachine Learning in Materials ScienceComputational Drug Discovery MethodsScientific Computing and Data Management