Theory for Deep Learning Regression Ensembles with Application to Raman Spectroscopy Analysis. - Wenjing Li; Randy C. Paffenroth; Michael T. Timko; Matthew P. Rando; Avery B. Brown; N. Aaron Deskins (ICMLA, 2021)

Dimensionally reduced machine learning model for predicting single component octanol-water partition coefficients. - David H. Kenney; Randy C. Paffenroth; Michael T. Timko; Andrew R. Teixeira (J. Cheminformatics, 2023)