Machine Learning for the prediction of 29Si Shielding Tensors with Applications in NMR Crystallography - Maxwell C. Venetos (2023)

Deconvolution and Analysis of the 1H NMR Spectra of Crude Reaction Mixtures. - Maxwell C. Venetos; Masha Elkin; Connor Delaney; John F. Hartwig; Kristin A. Persson (J. Chem. Inf. Model., 2024)

HEPOM: Using Graph Neural Networks for the Accelerated Predictions of Hydrolysis Free Energies in Different pH Conditions. - Rishabh D. Guha; Santiago Vargas; Evan Walter Clark Spotte-Smith; Alexander Rizzolo Epstein; Maxwell C. Venetos; Ryan Kingsbury; Mingjian Wen; Samuel M. Blau; Kristin A. Persson (J. Chem. Inf. Model., 2025)