Hodas, Nathan O.
- SMILES2Vec: An Interpretable General-Purpose Deep Neural Network for Predicting Chemical Properties
2017/12/05 by Garrett B. Goh, Nathan O. Hodas, Goh, Garrett B. +5 · 4 citations
Chemistry · Computer Science · Materials Science · #Artificial Intelligence (cs.AI) #Computation and Language (cs.CL) #Computational Drug Discovery Methods #FOS: Computer and information sciences #Machine Learning (cs.LG) #Machine Learning (stat.ML) #Machine Learning in Materials Science #Various Chemistry Research Topics
- Friendship Paradox Redux: Your Friends Are More Interesting Than You
2013/04/11 by Hodas, Nathan O., Kooti, Farshad, Lerman, Kristina · 3 citations
#Adaptation and Self-Organizing Systems (nlin.AO) #Applications (stat.AP) #Computers and Society (cs.CY) #FOS: Computer and information sciences #FOS: Physical sciences #G.2.2 #G.3 #J.4 #Physics and Society (physics.soc-ph) #Social and Information Networks (cs.SI)
- Network Weirdness: Exploring the Origins of Network Paradoxes
2014/03/27 by Kooti, Farshad, Hodas, Nathan O., Lerman, Kristina · 3 citations
#Computers and Society (cs.CY) #FOS: Computer and information sciences #FOS: Physical sciences #G.2.2 #G.3 #J.4 #Physics and Society (physics.soc-ph) #Social and Information Networks (cs.SI)
- Chemception: A Deep Neural Network with Minimal Chemistry Knowledge Matches the Performance of Expert-developed QSAR/QSPR Models
2017/06/20 by Goh, Garrett B., Siegel, Charles, Vishnu, Abhinav +2 · 3 citations
#Artificial Intelligence (cs.AI) #Computational Engineering #Computer Vision and Pattern Recognition (cs.CV) #FOS: Computer and information sciences #Finance #Machine Learning (cs.LG) #Machine Learning (stat.ML) #and Science (cs.CE)
- Deep Learning for Computational Chemistry
2017/01/17 by Goh, Garrett B., Hodas, Nathan O., Vishnu, Abhinav · 2 citations
#Artificial Intelligence (cs.AI) #Chemical Physics (physics.chem-ph) #Computational Engineering #FOS: Computer and information sciences #FOS: Physical sciences #Finance #Machine Learning (cs.LG) #Machine Learning (stat.ML) #and Science (cs.CE)
- A Koopman Operator Approach for Computing and Balancing Gramians for Discrete Time Nonlinear Systems
2017/09/25 by Yeung, Enoch, Liu, Zhiyuan, Hodas, Nathan O. · 2 citations
#FOS: Electrical engineering #Systems and Control (eess.SY) #electronic engineering #information engineering
- Using Rule-Based Labels for Weak Supervised Learning: A ChemNet for Transferable Chemical Property Prediction
2017/12/07 by Garrett B. Goh, Charles Siegel, Goh, Garrett B. +5 · 2 citations
Computer Science · Materials Science · Chemistry · #Computational Drug Discovery Methods #Machine Learning in Materials Science #Analytical Chemistry and Chromatography
- Few-Shot Learning with Metric-Agnostic Conditional Embeddings
2018/02/12 by Hilliard, Nathan, Phillips, Lawrence, Howland, Scott +3 · 1 citation
#FOS: Computer and information sciences #Machine Learning (cs.LG) #Machine Learning (stat.ML)
- Deep learning to generate in silico chemical property libraries and candidate molecules for small molecule identification in complex samples
2019/05/21 by Colby, Sean M., Nuñez, Jamie R., Hodas, Nathan O. +2 · 1 citation
#Biomolecules (q-bio.BM) #FOS: Biological sciences