Garrett B. Goh

发表

Chemception: A Deep Neural Network with Minimal Chemistry Knowledge Matches the Performance of Expert-developed QSAR/QSPR Models pdf

Abhinav Vishnu, Nathan Oken Hodas, Garrett B. Goh, 2017, ArXiv.

Deep learning for computational chemistry

Abhinav Vishnu, Nathan Oken Hodas, Garrett B. Goh, 2017, J. Comput. Chem..

SMILES2vec: Predicting Chemical Properties from Text Representations

Abhinav Vishnu, Garrett B. Goh, Charles Siegel, 2018 .

Parameter Choice Matters: Validating Probe Parameters for Use in Mixed-Solvent Simulations

Heather A. Carlson, Garrett B. Goh, Katrina W. Lexa, 2014, J. Chem. Inf. Model..

How Much Chemistry Does a Deep Neural Network Need to Know to Make Accurate Predictions?

Abhinav Vishnu, Garrett B. Goh, Charles Siegel, 2017, 2018 IEEE Winter Conference on Applications of Computer Vision (WACV).

Multiple-objective Reinforcement Learning for Inverse Design and Identification pdf

Haoran Wei, Garrett B. Goh, Mariefel Olarte, 2019, ArXiv.

ChemNet: A Transferable and Generalizable Deep Neural Network for Small-Molecule Property Prediction pdf

Abhinav Vishnu, Garrett B. Goh, Charles Siegel, 2017, ArXiv.

IL-Net: Using Expert Knowledge to Guide the Design of Furcated Neural Networks

Jim Pfaendtner, Garrett B. Goh, Wesley Beckner, 2018, 2018 IEEE International Conference on Big Data (Big Data).

Using Rule-Based Labels for Weak Supervised Learning: A ChemNet for Transferable Chemical Property Prediction

Abhinav Vishnu, Nathan Oken Hodas, Garrett B. Goh, 2017, KDD.

Multimodal Deep Neural Networks using Both Engineered and Learned Representations for Biodegradability Prediction pdf

Abhinav Vishnu, Jim Pfaendtner, Garrett B. Goh, 2018, ArXiv.

SMILES2Vec: An Interpretable General-Purpose Deep Neural Network for Predicting Chemical Properties pdf

Abhinav Vishnu, Garrett B. Goh, Charles Siegel, 2017, ArXiv.