Maclaurin, Dougal

Convolutional Networks on Graphs for Learning Molecular Fingerprints

Duvenaud, D., Maclaurin, D., Aguilera-Iparraguirre, J., Gómez-Bombarelli, R., Hirzel, T., Aspuru-Guzik, A., & Adams, R. P. (2015) · arXiv

Computational Drug Discovery MethodsAdvanced Graph Neural Networks

Cited by 2,628

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

Gómez-Bombarelli, R., Aguilera-Iparraguirre, J., Hirzel, T. D., Duvenaud, D., Maclaurin, D., Blood-Forsythe, M. A., Chae, H. S., Einzinger, M., Ha, D.-G., Wu, T., et al. (2016) · Nature Materials

Organic Light-Emitting Diodes ResearchMachine Learning in Materials Science

Cited by 1,060

Gradient-based Hyperparameter Optimization through Reversible Learning

Maclaurin, D., Duvenaud, D., & Adams, R. P. (2015) · arXiv

Machine Learning and Data ClassificationStochastic Gradient Optimization Techniques

Cited by 509