Iain M. McLay

Publication Activity (10 Years)

Years Active: 1996-2009
Publications (10 Years): 0

Publications

Michael Devereux, Paul L. A. Popelier, Iain M. McLay
Quantum Isostere Database: A Web-Based Tool Using Quantum Chemical Topology To Predict Bioisosteric Replacements for Drug Design. J. Chem. Inf. Model. 49 (6) (2009)
Michael Devereux, Paul L. A. Popelier, Iain M. McLay
fragment database for bioisosterism: Dependence of QCT properties on level of theory, conformation, and chemical environment. J. Comput. Chem. 30 (8) (2009)
George Papadatos, Anthony W. J. Cooper, Visakan Kadirkamanathan, Simon J. F. Macdonald, Iain M. McLay, Stephen D. Pickett, John Pritchard, Peter Willett, Valerie J. Gillet
Analysis of Neighborhood Behavior in Lead Optimization and Array Design. J. Chem. Inf. Model. 49 (2) (2009)
Chidochangu P. Mpamhanga, Beining Chen, Iain M. McLay, Peter Willett
Knowledge-Based Interaction Fingerprint Scoring: A Simple Method for Improving the Effectiveness of Fast Scoring Functions. J. Chem. Inf. Model. 46 (2) (2006)
Chidochangu P. Mpamhanga, Beining Chen, Iain M. McLay, Daniel L. Ormsby, Mika K. Lindvall
Retrospective Docking Study of PDE4B Ligands and an Analysis of the Behavior of Selected Scoring Functions. J. Chem. Inf. Model. 45 (4) (2005)
Stephen D. Pickett, Iain M. McLay, David E. Clark
Enhancing the Hit-to-Lead Properties of Lead Optimization Libraries. J. Chem. Inf. Comput. Sci. 40 (2) (2000)
Richard A. Lewis, Jonathan S. Mason, Iain M. McLay
Similarity Measures for Rational Set Selection and Analysis of Combinatorial Libraries: The Diverse Property-Derived (DPD) Approach. J. Chem. Inf. Comput. Sci. 37 (3) (1997)
Stephen D. Pickett, Jonathan S. Mason, Iain M. McLay
Diversity Profiling and Design Using 3D Pharmacophores: Pharmacophore-Derived Queries (PDQ). J. Chem. Inf. Comput. Sci. 36 (6) (1996)