AtomNet: A Deep Convolutional Neural Network for Bioactivity Prediction in Structure-based Drug DiscoveryDeep convolutional neural networks comprise a subclass of deep neural networks (DNN) with a constrained architecture that leverages the spatial and temporal structure of the domain they model. Convolutional networks achieve the best predictive performance in areas such as speech and image recognition by hierarchically composing simple local features into complex models. Although DNNs have been use
