%0 Journal Article %T Prediction of pKa Using Machine Learning Methods with Rooted Topological Torsion Fingerprints: Application to Aliphatic Amines. %A Lu, Yipin %A Anand, Shankara %A Shirley, William %A Gedeck, Peter %A Kelley, Brian P %A Skolnik, Suzanne %A Rodde, Stephane %A Nguyen, Mai %A Lindvall, Mika %A Jia, Weiping %J Journal of Chemical Information and Modeling %V 59 %N 11 %P 4706-4719 %@ 1549-9596 %D 2020-10-07 %~ DeepDyve