Clustering of Large Databases of Compounds: Using the MDL "Keys" as Structural Descriptors. - Malcolm J. McGregor; Peter V. Pallai (J. Chem. Inf. Comput. Sci., 1997)

Pharmacophore Fingerprinting. 1. Application to QSAR and Focused Library Design. - Malcolm J. McGregor; Steven M. Muskal (J. Chem. Inf. Comput. Sci., 1999)

Pharmacophore Fingerprinting. 2. Application to Primary Library Design. - Malcolm J. McGregor; Steven M. Muskal (J. Chem. Inf. Comput. Sci., 2000)

A Pharmacophore Map of Small Molecule Protein Kinase Inhibitors. - Malcolm J. McGregor (J. Chem. Inf. Model., 2007)