Abstract
By a News Reporter-Staff News Editor at Robotics & Machine Learning Daily News Daily News-New study results on artificial intell igence have been published. According to news reporting out of Shanghai,People' s Republic of China,by NewsRx editors,research stated,"The past decade has se en a sharp increase in machine learning (ML) applications in scientific research ." Our news journalists obtained a quote from the research from Chinese Academy of Sciences: "This review introduces the basic constituents of ML,including databa ses,features,and algorithms,and highlights a few important achievements in ch emistry that have been aided by ML techniques. The described databases include s ome of the most popular chemical databases for molecules and materials obtained from either experiments or computational calculations. Important two-dimensional (2D) and three-dimensional (3D) features representing the chemical environment of molecules and solids are briefly introduced. Decision tree and deep learning neural network algorithms are overviewed to emphasize their frameworks and typic al application scenarios. Three important fields of ML in chemistry are discussed: retrosynthesis,in which ML predicts the likely routes of organic synthesis; atomic simulations,which utilize the ML potential to accelerate potential energ y surface sampling; and heterogeneous catalysis,in which ML assists in various aspects of catalytic design,ranging from synthetic condition optimization to re action mechanism exploration."
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