Bayesian Optimization in Drug Discovery
Lionel Colliandre, Christophe Müller
Topics & Concepts
Pipeline (software)Drug discoveryBayesian optimizationComputer scienceSet (abstract data type)Bayesian probabilityData scienceData miningMachine learningArtificial intelligenceBioinformaticsBiologyProgramming languageComputational Drug Discovery MethodsProtein Structure and DynamicsMachine Learning in Materials Science