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Ensemble Geometric Deep Learning of Aqueous Solubility.
Mohammad Mehdi Ghahremanpour
Anastasia Saar
Julian Tirado-Rives
William L. Jorgensen
Published in:
J. Chem. Inf. Model. (2023)
Keyphrases
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deep learning
unsupervised learning
unsupervised feature learning
machine learning
weakly supervised
mental models
restricted boltzmann machine
training data
deep architectures
viewpoint
higher order
maximum likelihood
learning strategies