首页|Investigators at Harbin Institute of Technology Detail Findings in Machine Learn ing (Predicting Rate Constants of Reactive Chlorine Species Toward Organic Compo unds By Combining Machine Learning and Quantum Chemical Calculation)
Investigators at Harbin Institute of Technology Detail Findings in Machine Learn ing (Predicting Rate Constants of Reactive Chlorine Species Toward Organic Compo unds By Combining Machine Learning and Quantum Chemical Calculation)
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By a News Reporter-Staff News Editor at Robotics & Machine Learning DailyNews Daily News – New research on Machine Learning is th e subject of a report. According to news reportingoriginating in Harbin, People ’s Republic of China, by NewsRx journalists, research stated, “Reactivechlorine species (RCS), such as chlorine (HOCl/OCl-), chlorine dioxide (ClO2), chlorine atom (Cl-centerdot), and dichlorine radical (Cl-2(center dot-)), play a crucial role in oxidation and disinfection worldwide.In this study, we developed machi ne learning (ML)-based quantitative structure-activity relationship(QSAR) model s to predict the rate constants of RCS toward organic compounds by using quantum chemicaldescriptors (QDs) and Morgan fingerprints (MFs) as input features alon g with three tree-based MLalgorithms.”
HarbinPeople’s Republic of ChinaAsiaChlorineCyborgsEmerging TechnologiesHalogensMachine LearningHarbin I nstitute of Technology
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