Abstract
By a News Reporter-Staff News Editor at Robotics & Machine Learning Daily News Daily News – Fresh data on Machine Learning are presented in a new report. According to news reporting originating from Murfreesboro, Tennessee, by NewsRx correspondents, research stated, “We explore the use of machine learning to predict spectroscopic properties and interaction energies of the carbonyl groups in 225 ketones, aldehydes, imides, and amides. In the combined spirit of Density Functional Theory (DFT) and the Quantum Theory of Atoms in Molecules (QTAIM), but with an eye toward eventually using databases of transferable fragment densities, we limit the training data to small sets of descriptor s (from 18 to 48 per molecule) that are based on topological features in the tot al charge density, rho, and/or its Laplacian, del 2 rho.”
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