Application of ensemble learning for predicting GABAA receptor agonists
Xiao Fu, Xiaoyu Ding, Yan Shi, Dingyan Wang, Yitian Wang, Chen Cui, Tingfei Zhu, Kaixian Chen, Ping Xiang, Xiaomin Luo
Topics & Concepts
PharmacophoreGABAA receptorVirtual screeningArtificial intelligenceTest setComputer scienceSupport vector machineEnsemble learningMachine learningInterpretabilityAgonistPubChemEnsemble forecastingPartial agonistChemistryComputational biologyBioinformaticsReceptorBiologyBiochemistryComputational Drug Discovery MethodsMachine Learning in BioinformaticsCell Image Analysis Techniques