HTE- and AI-assisted development of DHP-catalyzed decarboxylative selenation
Zhunzhun Yu, Yaxian Kong, Baiqing Li, Shimin Su, Jianhang Rao, Yadong Gao, Tianyong Tu, Hongming Chen, Kuangbiao Liao
Abstract
= 0.89, RMSE = 9.0%, and MAE = 6.3%). Our work not only developed the catalytic applications of DHP derivatives, but also demonstrated the power of the combination of HTE and AI to advance chemical synthesis.
Topics & Concepts
CatalysisCombinatorial chemistryScope (computer science)ChemistrySubstrate (aquarium)Computer scienceOrganic chemistryBiologyEcologyProgramming languageOrganoselenium and organotellurium chemistryNanocluster Synthesis and ApplicationsSulfur-Based Synthesis Techniques