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A graph-convolutional neural network model for the prediction of chemical reactivity
Submitted on
Wed, 2019-06-05 12:11
Title
A graph-convolutional neural network model for the prediction of chemical reactivity
Publication Type
Journal Article
Year of Publication
2019
Authors
Connor W. Coley
Wengong Jin
Luke Rogers
Timothy F. Jamison
Tommi S. Jaakkola
William H. Green
Regina Barzilay
Klavs F. Jensen
Journal
Chem. Sci.
Volume
10
Pagination
370-377
Keywords
DOI
http://dx.doi.org/10.1039/C8SC04228D
URL
http://dx.doi.org/10.1039/C8SC04228D
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