Garrett B. Goh

Publication Activity (10 Years)

Years Active: 2014-2019
Publications (10 Years): 13

Top Topics

Computational Chemistry

Distributed Representations

Single Parameter

Top Venues

J. Comput. Chem.

Publications

Lawrence Phillips, Garrett B. Goh, Nathan O. Hodas
Explanatory Masks for Neural Network Interpretability. CoRR (2019)
Haoran Wei, Mariefel Olarte, Garrett B. Goh
Multiple-objective Reinforcement Learning for Inverse Design and Identification. CoRR (2019)
Khushmeen Sakloth, Wesley Beckner, Jim Pfaendtner, Garrett B. Goh
IL-Net: Using Expert Knowledge to Guide the Design of Furcated Neural Networks. IEEE BigData (2018)
Garrett B. Goh, Khushmeen Sakloth, Charles Siegel, Abhinav Vishnu, Jim Pfaendtner
Multimodal Deep Neural Networks using Both Engineered and Learned Representations for Biodegradability Prediction. CoRR (2018)
Khushmeen Sakloth, Wesley Beckner, Jim Pfaendtner, Garrett B. Goh
IL-Net: Using Expert Knowledge to Guide the Design of Furcated Neural Networks. CoRR (2018)
Garrett B. Goh, Charles Siegel, Abhinav Vishnu, Nathan O. Hodas, Nathan Baker
How Much Chemistry Does a Deep Neural Network Need to Know to Make Accurate Predictions? WACV (2018)
Garrett B. Goh, Charles Siegel, Abhinav Vishnu, Nathan Oken Hodas
Using Rule-Based Labels for Weak Supervised Learning: A ChemNet for Transferable Chemical Property Prediction. KDD (2018)
Garrett B. Goh, Charles Siegel, Abhinav Vishnu, Nathan O. Hodas, Nathan Baker
How Much Chemistry Does a Deep Neural Network Need to Know to Make Accurate Predictions? CoRR (2017)
Garrett B. Goh, Nathan O. Hodas, Abhinav Vishnu
Deep Learning for Computational Chemistry. CoRR (2017)
Garrett B. Goh, Nathan O. Hodas, Abhinav Vishnu
Deep learning for computational chemistry. J. Comput. Chem. 38 (16) (2017)
Garrett B. Goh, Charles Siegel, Abhinav Vishnu, Nathan O. Hodas
ChemNet: A Transferable and Generalizable Deep Neural Network for Small-Molecule Property Prediction. CoRR (2017)
Garrett B. Goh, Charles Siegel, Abhinav Vishnu, Nathan Oken Hodas, Nathan Baker
Chemception: A Deep Neural Network with Minimal Chemistry Knowledge Matches the Performance of Expert-developed QSAR/QSPR Models. CoRR (2017)
Garrett B. Goh, Nathan O. Hodas, Charles Siegel, Abhinav Vishnu
SMILES2Vec: An Interpretable General-Purpose Deep Neural Network for Predicting Chemical Properties. CoRR (2017)
Katrina W. Lexa, Garrett B. Goh, Heather A. Carlson
Parameter Choice Matters: Validating Probe Parameters for Use in Mixed-Solvent Simulations. J. Chem. Inf. Model. 54 (8) (2014)