Benefit of Retraining pKa Models Studied Using Internally Measured Data. - Peter Gedeck; Yipin Lu; Suzanne Skolnik; Stephane Rodde; Gavin Dollinger; Weiping Jia; Giuliano Berellini; Riccardo Vianello; Bernard Faller; Franco Lombardo (J. Chem. Inf. Model., 2015)

Developing Collaborative QSAR Models Without Sharing Structures. - Peter Gedeck; Suzanne Skolnik; Stephane Rodde (J. Chem. Inf. Model., 2017)

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)