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PharmacyBioinformaticsMedicinal ChemistryDrug DesignDrug DiscoveryStructure-activity RelationshipsComputational Drug DiscoveryDrug Discovery InformaticsDrug Knowledge RepresentationDrug-target Interaction MappingGraph-based LearningNetwork PharmacologyChemical Similarity NetworksGraph Attention NetworksMolecular Graph RepresentationNetwork-based Drug DesignNetwork-based Drug DiscoverySubstructure SearchSubstructure Searching
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Sepp Hochreiter, Jürgen Schmidhuber · Neural Computation · 1997 · 98.1K citations
Proceedings of the 24th international conference on Machine learning
2007 · 11.7K citations
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