Calculation of Intersubstituent Similarity Using R-Group Descriptors. - John D. Holliday; Stephen P. Jelfs; Peter Willett 002; Peter Gedeck (J. Chem. Inf. Comput. Sci., 2003)

Estimation of pKa for Druglike Compounds Using Semiempirical and Information-Based Descriptors. - Stephen P. Jelfs; Peter Ertl; Paul Selzer (J. Chem. Inf. Model., 2007)