David Duvenaud

Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules.

Rafael Gómez‐Bombarelli, Jennifer N. Wei, David Duvenaud et al. · Cambridge University Engineering Department Publications Database · 2018 · 2K citations · Full text

Pharmacy, Chemistry, Computational Chemistry +16

Design of efficient molecular organic light-emitting diodes by a high-throughput virtual screening and experimental approach

Rafael Gómez‐Bombarelli, Jorge Aguilera‐Iparraguirre, Timothy Hirzel et al. · Nature Materials · 2016 · 1.1K citations

Natural Sciences, Chemistry, Physics +11

Convolutional Networks on Graphs for Learning Molecular Fingerprints

David Duvenaud, Dougal Maclaurin, Jorge Aguilera‐Iparraguirre et al. · arXiv (Cornell University) · 2015 · 906 citations · Full text

Computing, Computer Science, Data Science +17

Neural Ordinary Differential Equations

Ricky T. Q. Chen, Yulia Rubanova, Jesse Bettencourt et al. · arXiv (Cornell University) · 2018 · 570 citations · Full text

Computing, Computer Science, Artificial Intelligence +16

Gradient-based Hyperparameter Optimization through Reversible Learning

Dougal Maclaurin, David Duvenaud, Ryan P. Adams · arXiv (Cornell University) · 2015 · 403 citations · Full text

Computing, Computer Science, Artificial Intelligence +16