Graph Memory Networks for Molecular Activity Prediction
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[1] Svetha Venkatesh,et al. Faster training of very deep networks via p-norm gates , 2016, 2016 23rd International Conference on Pattern Recognition (ICPR).
[2] Ruslan Salakhutdinov,et al. Neural Map: Structured Memory for Deep Reinforcement Learning , 2017, ICLR.
[3] Ting Wang,et al. Boosting: An Ensemble Learning Tool for Compound Classification and QSAR Modeling , 2005, J. Chem. Inf. Model..
[4] Sergio Gomez Colmenarejo,et al. Hybrid computing using a neural network with dynamic external memory , 2016, Nature.
[5] Jason Weston,et al. End-To-End Memory Networks , 2015, NIPS.
[6] Bernard F. Buxton,et al. Drug Design by Machine Learning: Support Vector Machines for Pharmaceutical Data Analysis , 2001, Comput. Chem..
[7] Igor V Tetko,et al. A renaissance of neural networks in drug discovery , 2016, Expert opinion on drug discovery.
[8] S. V. N. Vishwanathan,et al. Graph kernels , 2007 .
[9] Richard S. Zemel,et al. Gated Graph Sequence Neural Networks , 2015, ICLR.
[10] Sepp Hochreiter,et al. Toxicity Prediction using Deep Learning , 2015, ArXiv.
[11] Navdeep Jaitly,et al. Multi-task Neural Networks for QSAR Predictions , 2014, ArXiv.
[12] Quoc V. Le,et al. Distributed Representations of Sentences and Documents , 2014, ICML.
[13] Guigang Zhang,et al. Deep Learning , 2016, Int. J. Semantic Comput..
[14] Nitish Srivastava,et al. Dropout: a simple way to prevent neural networks from overfitting , 2014, J. Mach. Learn. Res..
[15] Pierre Vandergheynst,et al. Geometric Deep Learning: Going beyond Euclidean data , 2016, IEEE Signal Process. Mag..
[16] Andrew McCallum,et al. RelNet: End-to-end Modeling of Entities & Relations , 2017, AKBC@NIPS.
[17] Jürgen Schmidhuber,et al. Training Very Deep Networks , 2015, NIPS.
[18] Donald F. Towsley,et al. Diffusion-Convolutional Neural Networks , 2015, NIPS.
[19] Robert P. Sheridan,et al. Random Forest: A Classification and Regression Tool for Compound Classification and QSAR Modeling , 2003, J. Chem. Inf. Comput. Sci..
[20] Alán Aspuru-Guzik,et al. Convolutional Networks on Graphs for Learning Molecular Fingerprints , 2015, NIPS.
[21] Svetha Venkatesh,et al. Column Networks for Collective Classification , 2016, AAAI.
[22] J. Dearden,et al. QSAR modeling: where have you been? Where are you going to? , 2014, Journal of medicinal chemistry.
[23] Ah Chung Tsoi,et al. The Graph Neural Network Model , 2009, IEEE Transactions on Neural Networks.
[24] Vijay S. Pande,et al. Massively Multitask Networks for Drug Discovery , 2015, ArXiv.
[25] Yann LeCun,et al. Spectral Networks and Deep Locally Connected Networks on Graphs , 2014 .
[26] Mathias Niepert,et al. Learning Convolutional Neural Networks for Graphs , 2016, ICML.
[27] John Grundy,et al. Predicting Delivery Capability in Iterative Software Development , 2018, IEEE Transactions on Software Engineering.
[28] Michael K. Gilson,et al. Virtual Screening of Molecular Databases Using a Support Vector Machine , 2005, J. Chem. Inf. Model..
[29] David Rogers,et al. Extended-Connectivity Fingerprints , 2010, J. Chem. Inf. Model..
[30] Vijay S. Pande,et al. Molecular graph convolutions: moving beyond fingerprints , 2016, Journal of Computer-Aided Molecular Design.
[31] Alex Graves,et al. Neural Turing Machines , 2014, ArXiv.
[32] Daniel D. Johnson,et al. Learning Graphical State Transitions , 2016, ICLR.
[33] Max Welling,et al. Modeling Relational Data with Graph Convolutional Networks , 2017, ESWC.
[34] Joan Bruna,et al. Deep Convolutional Networks on Graph-Structured Data , 2015, ArXiv.
[35] Samuel S. Schoenholz,et al. Neural Message Passing for Quantum Chemistry , 2017, ICML.