Charles McGill

Publication Activity (10 Years)

Years Active: 2021-2024
Publications (10 Years): 3

Top Topics

Machine Learning

Handling Uncertainty

Top Venues

J. Chem. Inf. Model.

Publications

Esther Heid, Kevin P. Greenman, Yunsie Chung, Shih-Cheng Li, David E. Graff, Florence H. Vermeire, Haoyang Wu, William H. Green Jr., Charles McGill
Chemprop: A Machine Learning Package for Chemical Property Prediction. J. Chem. Inf. Model. 64 (1) (2024)
Esther Heid, Charles McGill, Florence H. Vermeire, William H. Green Jr.
Characterizing Uncertainty in Machine Learning for Chemistry. J. Chem. Inf. Model. 63 (13) (2023)
Charles McGill, Michael Forsuelo, Yanfei Guan, William H. Green Jr.
Predicting Infrared Spectra with Message Passing Neural Networks. J. Chem. Inf. Model. 61 (6) (2021)