A Fast Multipole Boundary Element Method for Molecular Electrostatics: An Optimal Approach for Large Systems. - Ranganathan Bharadwaj; Andreas Windemuth; S. Sriharan; Barry Honig; Antony Nocholls (J. Comput. Chem., 1995)

Learning across label confidence distributions using Filtered Transfer Learning. - Seyed Ali Madani Tonekaboni; Andrew E. Brereton; Zhaleh Safikhani; Andreas Windemuth; Benjamin Haibe-Kains; Stephen MacKinnon (ICMLA, 2020)

Predicting drug properties with parameter-free machine learning: pareto-optimal embedded modeling (POEM). - Andrew E. Brereton; Stephen MacKinnon; Zhaleh Safikhani; Shawn Reeves; Sana Alwash; Vijay Shahani; Andreas Windemuth (Mach. Learn. Sci. Technol., 2020)