Kangway V Chuang

6PUBLICATIONS
12CO-AUTHORS
Biomolecular modelling and designNeural networksCheminformatics and quantitative structure-activity relationshipsBioinformatic methods developmentComputational chemistry
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Publications (6)

|Aug 09, 2024
CREMP: Conformer-rotamer ensembles of macrocyclic peptides for machine learning.

Colin A Grambow, Hayley Weir, Christian N Cunningham

|Jul 02, 2024
Proximity Graph Networks: Predicting Ligand Affinity with Message Passing Neural Networks.

Zachary J Gale-Day, Laura Shub, Kangway V Chuang

|May 06, 2020
Learning Molecular Representations for Medicinal Chemistry.

Kangway V Chuang, Laura M Gunsalus, Michael J Keiser

|May 17, 2019
Interpretable classification of Alzheimer's disease pathologies with a convolutional neural network pipeline.

Ziqi Tang, Kangway V Chuang, Charles DeCarli

|Nov 17, 2018
Comment on "Predicting reaction performance in C-N cross-coupling using machine learning".

Kangway V Chuang, Michael J Keiser

|Oct 20, 2018
Adversarial Controls for Scientific Machine Learning.

Kangway V Chuang, Michael J Keiser

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Frequent Collaborators

5 joint publications

Michael J Keiser

1 joint publications

Ziqi Tang

1 joint publications

Lee-Way Jin

1 joint publications

Laurel Beckett