Yipin Lu

Publication Activity (10 Years)

Years Active: 2004-2019
Publications (10 Years): 2

Top Topics

Parameter Estimation

Prediction Error

Top Venues

J. Chem. Inf. Model.

Publications

Yipin Lu, Shankara Anand, William A. Shirley, Peter Gedeck, Brian P. Kelley, Suzanne Skolnik, Stephane Rodde, Mai Nguyen, Mika K. Lindvall, Weiping Jia
Prediction of pKa Using Machine Learning Methods with Rooted Topological Torsion Fingerprints: Application to Aliphatic Amines. J. Chem. Inf. Model. 59 (11) (2019)
Peter Gedeck, Yipin Lu, Suzanne Skolnik, Stephane Rodde, Gavin Dollinger, Weiping Jia, Giuliano Berellini, Riccardo Vianello, Bernard Faller, Franco Lombardo
Models Studied Using Internally Measured Data. J. Chem. Inf. Model. 55 (7) (2015)
Yipin Lu, Renxiao Wang, Chao-Yie Yang, Shaomeng Wang
Analysis of Ligand-Bound Water Molecules in High-Resolution Crystal Structures of Protein-Ligand Complexes. J. Chem. Inf. Model. 47 (2) (2007)
Renxiao Wang, Yipin Lu, Xueliang Fang, Shaomeng Wang
An Extensive Test of 14 Scoring Functions Using the PDBbind Refined Set of 800 Protein-Ligand Complexes. J. Chem. Inf. Model. 44 (6) (2004)