http://www.loc.gov/mods/v3 http://www.loc.gov/standards/mods/v3/mods-3-2.xsd
data-driven algorithms, learning systems, and predictions
1 online resource (x, 129 pages) : illustrations.
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.
Edward O. Pyzer-Knapp, editor, Teodoro Laino, editor.
"Sponsored by the ACS Division of Computers in Chemistry" -- title page.
Includes bibliographical references and indexes.