Current status of active learning for drug discovery
Jie Yu, Xutong Li, Mingyue Zheng
Abstract
Active learning has been widely used in drug discovery and design in recent years. In this viewpoint, we will briefly summarize applications of AL for drug discovery and propose two potential limitations of research in this field.
Topics & Concepts
Drug discoveryComputer scienceData scienceField (mathematics)Active learning (machine learning)DrugArtificial intelligenceMedicinePharmacologyBioinformaticsBiologyMathematicsPure mathematicsMachine Learning and AlgorithmsComputational Drug Discovery MethodsMachine Learning in Materials Science