Future Medicinal Chemistry · 2018 · 172 citations · 16 references
PharmacyBioinformaticsComputational BiologyDrug DiscoveryMachine LearningBinding Affinity PredictionComputational Drug DiscoveryDrug-target Interaction MappingMolecular Property PredictionProtein-protein Interaction ModelingVirtual ScreeningComputational ScreeningComputer-aided Drug DiscoveryDrug - Target Binding Affinity PredictionDrug Binding DatabasesDrug-target Binding Affinity PredictionLigand-target Binding PredictionProtein - Ligand Affinity PredictionProtein-ligand Binding Affinity Prediction
While many of the new approaches have yet to bear fruit in terms of drugs being progressed to market, initial reports tend toward the belief that they will become even more integral in the drug discovery process than has hitherto been seen.
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Human-level control through deep reinforcement learning
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Planning chemical syntheses with deep neural networks and symbolic AI
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