Machine Learning in Chemistry

Download or read book Machine Learning in Chemistry written by Edward O. Pyzer-Knapp and published by . This book was released on 2020-10-22 with total page 140 pages. Available in PDF, EPUB and Kindle. Book excerpt: Atomic-scale representation and statistical learning of tensorial properties -- Prediction of Mohs hardness with machine learning methods using compositional features -- High-dimensional neural network potentials for atomistic simulations -- Data-driven learning systems for chemical reaction prediction: an analysis of recent approaches -- Using machine learning to inform decisions in drug discovery : an industry perspective -- Cognitive materials discovery and onset of the 5th discovery paradigm.