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Prediction of pKa Using Machine Learning Methods with Rooted Topological Torsion Fingerprints: Application to Aliphatic Amines. - Yipin Lu; Shankara Anand; William A. Shirley; Peter Gedeck; Brian P. Kelley; Suzanne Skolnik; Stephane Rodde; Mai Nguyen; Mika K. Lindvall; Weiping Jia (J. Chem. Inf. Model., 2019)