246 citations · 640 across the 16 of their papers we have counts for
3 papers · 1 filter
Using Rule-Based Labels for Weak Supervised Learning: A ChemNet for Transferable Chemical Property Prediction
Garrett B. Goh, Charles Siegel, Abhinav Vishnu +1
With access to large datasets, deep neural networks (DNN) have achieved human-level accuracy in image and speech recognition tasks. However, in chemistry, data is inherently small…
Chemception: A Deep Neural Network with Minimal Chemistry Knowledge Matches the Performance of Expert-developed QSAR/QSPR Models
Garrett B. Goh, Charles Siegel, Abhinav Vishnu +2
In the last few years, we have seen the transformative impact of deep learning in many applications, particularly in speech recognition and computer vision. Inspired by Google's In…
Deep Learning for Computational Chemistry
Garrett B. Goh, Nathan O. Hodas, Abhinav Vishnu
The rise and fall of artificial neural networks is well documented in the scientific literature of both computer science and computational chemistry. Yet almost two decades later,…