Machine Learning in Chemistry: Data-Driven Algorithms, Learning Systems, and Predictions
Edward O. Pyzer-Knapp, Teodoro Laino
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.
Рік:
2020
Видавництво:
American Chemical Society
Мова:
english
Сторінки:
140
ISBN 10:
084123504X
ISBN 13:
9780841235045
Серії:
ACS Symposium Series
Файл:
PDF, 10.76 MB
IPFS:
,
english, 2020