Interpretable machine learning assisted multi-objective optimization design for small molecule hole transport materials
Xian Zhou, Zhichun Zheng, Tian Lu, Pengcheng Xu, Ting Chang, Minjie Li, Wencong Lu, Wencong Lu
Topics & Concepts
Gradient boostingMoleculeVirtual screeningComputer scienceBoosting (machine learning)Materials sciencePhotoelectric effectCross-validationArtificial intelligencePhysicsChemistryComputational chemistryOptoelectronicsMolecular dynamicsRandom forestQuantum mechanicsPerovskite Materials and ApplicationsQuantum Dots Synthesis And PropertiesMachine Learning in Materials Science