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"Convolutional Networks on Graphs for Learning Molecular Fingerprints."
David Duvenaud et al. (2015)
- David Duvenaud, Dougal Maclaurin, Jorge Aguilera-Iparraguirre, Rafael Gómez-Bombarelli, Timothy Hirzel, Alán Aspuru-Guzik, Ryan P. Adams:
Convolutional Networks on Graphs for Learning Molecular Fingerprints. CoRR abs/1509.09292 (2015)
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