Probing How Defects in Self-assembled Monolayers Affect Peptide Adsorption with Molecular Simulation. - K. G. Sprenger; Yi He; Jim Pfaendtner (FOMMS, 2015)

Application of machine learning to pyrolysis reaction networks: Reducing model solution time to enable process optimization. - Blake R. Hough; David A. C. Beck; Daniel T. Schwartz; Jim Pfaendtner (Comput. Chem. Eng., 2017)

IL-Net: Using Expert Knowledge to Guide the Design of Furcated Neural Networks. - Khushmeen Sakloth; Wesley Beckner; Jim Pfaendtner; Garrett B. Goh (IEEE BigData, 2018)

Multimodal Deep Neural Networks using Both Engineered and Learned Representations for Biodegradability Prediction. - Garrett B. Goh; Khushmeen Sakloth; Charles Siegel; Abhinav Vishnu; Jim Pfaendtner (CoRR, 2018)

Fantastic Liquids and Where To Find Them: Optimizations of Discrete Chemical Space. - Wesley Beckner; Jim Pfaendtner (J. Chem. Inf. Model., 2019)