Exact and efficient analytical calculation of the accessible surface areas and their gradients for macromolecules. - Robert Fraczkiewicz; Werner Braun (J. Comput. Chem., 1998)

Novel ADMET design tool for chemists. - David W. Miller; Robert Fraczkiewicz; Walter S. Woltosz (J. Cheminformatics, 2011)

Using beta binomials to estimate classification uncertainty for ensemble models. - Robert D. Clark; Wenkel Liang; Adam C. Lee; Michael S. Lawless; Robert Fraczkiewicz; Marvin Waldman (J. Cheminformatics, 2014)

Tales from the war on error: the art and science of curating QSAR data. - Marvin Waldman; Robert Fraczkiewicz; Robert D. Clark (J. Comput. Aided Mol. Des., 2015)

Best of Both Worlds: Combining Pharma Data and State of the Art Modeling Technology To Improve in Silico pKa Prediction. - Robert Fraczkiewicz; Mario Lobell; Andreas H. Göller; Ursula Krenz; Rolf Schoenneis; Robert D. Clark; Alexander Hillisch (J. Chem. Inf. Model., 2015)

pK50─A Rigorous Indicator of Individual Functional Group Acidity/Basicity in Multiprotic Compounds. - Robert Fraczkiewicz; Marvin Waldman (J. Chem. Inf. Model., 2023)