Kangway Chuang, PhD

Principal AI Scientist and Group Lead

Arnold O. Beckman Postdoctoral Fellow, 2017-2021.

Lab papers

1. Proximity Graph Networks- Predicting Ligand Affinity with Message Passing Neural Networks.

   Gale-Day ZJ, Shub L, Chuang KV, Keiser MJ. J Chem Inf Model. 2024 Jul 22.

2. Attention-Based Learning on Molecular Ensembles.

   Chuang KV, Keiser MJ. arXiv - NeurIPS ML4Molecules. 2020 Nov 25.

3. Learning Molecular Representations for Medicinal Chemistry.

   Chuang KV, Gunsalus LM, Keiser MJ. J Med Chem. 2020 Aug 27.

4. Interpretable classification of Alzheimer's disease pathologies with a convolutional neural network pipeline.

   Tang Z, Chuang KV, DeCarli C, Jin LW, Beckett L, Keiser MJ, Dugger BN. Nat Commun. 2019 May 15.

5. Comment on "Predicting reaction performance in C-N cross-coupling using machine learning".

   Chuang KV, Keiser MJ. Science. 2018 Nov 16.

6. Adversarial Controls for Scientific Machine Learning.

   Chuang KV, Keiser MJ. ACS Chem Biol. 2018 Oct 19.