[momeara]

Several people have asked for background material for the workshop--

(Wallach, 2015, http://arxiv.org/pdf/1510.02855.pdf) AtomNet: A Deep Convolutional Neural Network for Bioactivity Prediction in Structure-based Drug Discovery

(Duvenaud, 2015, http://papers.nips.cc/paper/5954-convolutional-networks-on-g...) Convolutional Networks on Graphs for Learning Molecular Fingerprints

(Kearnes, 2016, http://arxiv.org/abs/1606.08793v1) Modeling Industrial ADMET Data with Multitask Networks

(Gómez-Bombarelli, 2016, doi:10.1038/nmat4717) Design of efficient molecular organic light-emitting diodes by a high-throughput virtual screening and experimental approach

and of course

(Gómez-Bombarelli, 2016, https://arxiv.org/abs/1610.02415) Automatic chemical design using a data-driven continuous representation of molecules