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Geometric deep learning for molecular property predictions with chemical accuracy across chemical space.
Maarten R. Dobbelaere
István Lengyel
Christian V. Stevens
Kevin M. Van Geem
Published in:
J. Cheminformatics (2024)
Keyphrases
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deep learning
drug discovery
chemical reactions
virtual screening
unsupervised learning
molecular level
viewpoint
pattern recognition
data mining
information retrieval
three dimensional
multi class
higher order
restricted boltzmann machine