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Deep learning and knowledge-based methods for computer-aided molecular design—toward a unified approach: State-of-the-art and future directions

Abdulelah S. Alshehri, Rafiqul Gani, Fengqi You

2020Computers & Chemical Engineering117 citationsDOIOpen Access PDF

Topics & Concepts

Deep learningComputer scienceBenchmarkingData scienceKey (lock)UnderpinningArtificial intelligenceProcess (computing)Management scienceHuman–computer interactionEngineeringComputer securityCivil engineeringMarketingOperating systemBusinessComputational Drug Discovery MethodsMachine Learning in Materials ScienceProcess Optimization and Integration
Deep learning and knowledge-based methods for computer-aided molecular design—toward a unified approach: State-of-the-art and future directions | Litcius