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Has Artificial Intelligence Impacted Drug Discovery?

Atanas Patronov1, Kostas Papadopoulos2, Ola Engkvist3

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Methods in Molecular Biology (Clifton, N.J.)
|November 3, 2021
PubMed
Summary
This summary is machine-generated.

Artificial intelligence (AI) is revolutionizing drug discovery, particularly in molecular generation using deep neural networks (DNNs). This work details AI applications, including the REINVENT platform, and discusses future challenges in AI-driven drug design.

Failed At:

2026-06-19T13:39:14.153790+00:00

Keywords:
AIActive learningCADDCNNChEMBLChemical spaceComputer-aided drug designDMPKDNNData augmentationDe novo generationDeep generative modelsDeep neural networksDockingDrug designFEPGANLSTMLibrary designLong short-term memoryMPOMedicinal chemistryMolecular designMolecular graphMulti-objective optimizationNeural networksPubChemQSARREINVENTRNNReinforcement LearningSMILESScoring functionSynthetic accessibilityVAE

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