Weighted Averaging Scheme and Local Atomic Descriptor for pKa Prediction Based on Density Functional Theory. - Haoyu S. Yu; Mark A. Watson; Art D. Bochevarov (J. Chem. Inf. Model., 2018)

Generation of Tautomers Using Micro-pKa's. - Mark A. Watson; Haoyu S. Yu; Art D. Bochevarov (J. Chem. Inf. Model., 2019)

Pattern-free generation and quantum mechanical scoring of ring-chain tautomers. - Daniel S. Levine 003; Mark A. Watson; Leif D. Jacobson; Claire E. Dickerson; Haoyu S. Yu; Art D. Bochevarov (J. Comput. Aided Mol. Des., 2021)

Comment on the Definition and Labeling of pK50. - Mark A. Watson; Ryne C. Johnston; Art D. Bochevarov (J. Chem. Inf. Model., 2023)