AtomNet: A Deep Convolutional Neural Network for Bioactivity Prediction in Structure-based Drug Discovery — mentioned by momeara

Tue, 25 Oct 2016 13:32:20 GMT

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…

Paper and discussion history. A mention is not an endorsement.

AtomNet: A Deep Convolutional Neural Network for Bioactivity Prediction in Structure-based Drug Discovery — HN submission

Wed, 14 Oct 2015 22:26:04 GMT

AtomNet: A Deep Convolutional Neural Network for Drug Discovery

5 points; 3 discussion replies on HN. Paper and source history. A submission is not an endorsement.

AtomNet: A Deep Convolutional Neural Network for Bioactivity Prediction in Structure-based Drug Discovery · HackerPapers discussions

AtomNet: A Deep Convolutional Neural Network for Bioactivity Prediction in Structure-based Drug Discovery — mentioned by momeara

AtomNet: A Deep Convolutional Neural Network for Bioactivity Prediction in Structure-based Drug Discovery — HN submission