Prediction of pKa Values for Aliphatic Carboxylic Acids and Alcohols with Empirical Atomic Charge Descriptors. - Jinhua Zhang; Thomas Kleinöder; Johann Gasteiger (J. Chem. Inf. Model., 2006)

Quantifying intrinsic chemical reactivity of molecular structural features for protein binding and reactive toxicity, using the MOSES chemoinformatics system. - Johannes Schwöbel; Bruno Bienfait; Johann Gasteiger; Thomas Kleinöder; Jörg Marusczyk; Oliver Sacher; Christof H. Schwab; Aleksey Tarkhov; Lothar Terfloth; Mark T. D. Cronin (J. Cheminformatics, 2012)

New Publicly Available Chemical Query Language, CSRML, To Support Chemotype Representations for Application to Data Mining and Modeling. - Chihae Yang; Aleksey Tarkhov; Jörg Marusczyk; Bruno Bienfait; Johann Gasteiger; Thomas Kleinöder; Tomasz Magdziarz; Oliver Sacher; Christof H. Schwab; Johannes Schwöbel; Lothar Terfloth; Kirk Arvidson; et al. (J. Chem. Inf. Model., 2015)