Featured Publications
E.O. Cannon, "New Benchmark for Chemical Nomenclature Software", J. Chem. Inf. Model., 2012
B.R. Beno and D.R. Langley, "MORPH: A New Tool for Ligand Design", J. Chem. Inf. Model., 2010, 50 (6), pp 1159-1164
R. Sayle, "Foreign Language Translation of Chemical Nomenclature by Computer", J. Chem. Inf. Model., 2009, 49 (3), pp 519-530
J.A. Grant, J.A. Haigh, B.T. Pickup, A. Nicholls and R.A. Sayle, "Lingos, Finite State Machines, and Fast Similarity Searching", J. Chem. Inf. Model., 2006, 46 (5), pp 1912-1918
J.J. Irwin and B.K. Shoichet, "ZINC - A Free Database of Commercially Available Compounds for Virtual Screening", J. Chem. Inf. Model., 2005, 45 (1), pp 177-182
Publications by Date
J. Manchester and R. Czerminski, "SAMFA : Simplifying Molecular Description for 3D-QSAR", J. Chem. Inf. Model., 2008, 48 (6), pp 1167-1173
G. Marcou and D. Rognan, "Optimizing Fragment and Scaffold Docking by Use of Molecular Interaction Fingerprints", J. Chem. Inf. Model., 2007, 47 (1), pp 195-207
M. Stahl and H. Mauser, "Database Clustering with a Combination of Fingerprint and Maximum Common Substructure Methods", J. Chem. Inf. Model., 2005, 45 (3), pp 542-548
A.C. Pierce, G. Rao and G.W. Bemis, "BREED: Generating Novel Inhibitors through Hybridization of Known Ligands. Application to CDK2, P38, and HIV Protease", J. Med. Chem., 2004, 47 (11), pp 2768-2775
Bibliography & Related Publications
D. Vidal, M. Thormann and M. Pons, "LINGO, an Efficient Holographic Text Based Method To Calculate Biophysical Properties and Intermolecular Similarities", J. Chem. Inf. Model., 2005, 45 (2), pp 386-393
