Multi-objective molecular generation via clustered Pareto-based reinforcement learning
Jing Wang, Fei Zhu
Topics & Concepts
Reinforcement learningComputer sciencePareto principleChemical spaceRanking (information retrieval)GRASPCluster analysisArtificial intelligenceMachine learningSet (abstract data type)Drug discoveryMathematical optimizationMathematicsChemistryBiochemistryProgramming languageComputational Drug Discovery MethodsViral Infectious Diseases and Gene Expression in InsectsReceptor Mechanisms and Signaling