Generation of focused drug molecule library using recurrent neural network
Jinping Zou, Long Zhao, Shaoping Shi
Topics & Concepts
Recurrent neural networkMolecular dynamicsComputer scienceDrug designDrug discoveryForce field (fiction)ChemistryArtificial neural networkArtificial intelligenceComputational biologyComputational chemistryBiologyBiochemistryComputational Drug Discovery MethodsPharmacological Receptor Mechanisms and EffectsMachine Learning in Materials Science