首页|University of Pittsburgh Reports Findings in Machine Learning (QupKake: Integrating Machine Learning and Quantum Chemistry for Micro-pKa Predictions)
University of Pittsburgh Reports Findings in Machine Learning (QupKake: Integrating Machine Learning and Quantum Chemistry for Micro-pKa Predictions)
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By a News Reporter-Staff News Editor at Robotics & Machine Learning Daily News Daily News – New research on Machine Learning is the subject of a report. According to news reporting out of Pittsburgh, Pennsylvania, by NewsRx editors, research stated, “Accurate prediction of micro-pvalues is crucial for understanding and modulating the acidity and basicity of organic molecules, with applications in drug discovery, materials science, and environmental chemistry. This work introduces QupKake, a novel method that combines graph neural network models with semiempirical quantum mechanical (QM) features to achieve exceptional accuracy and generalization in micro-p prediction.”
PittsburghPennsylvaniaUnited StatesNorth and Central AmericaChemistryCyborgsEmerging TechnologiesMachine LearningQuantum Chemistry
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