Learning to Make Chemical Predictions: The Interplay of Feature Representation, Data, and Machine Learning Methods

Published 2020 View Full Article

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Title
Learning to Make Chemical Predictions: The Interplay of Feature Representation, Data, and Machine Learning Methods
Authors
Keywords
machine learning, feature representation, chemical data, chemical property, convolutional neural networks, random forest regression
Journal
Chem
Volume 6, Issue 7, Pages 1527-1542
Publisher
Elsevier BV
Online
2020-06-16
DOI
10.1016/j.chempr.2020.05.014

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