Iain M. McLay

According to our database, Iain M. McLay authored at least 8 papers between 1996 and 2009.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2009

Analysis of Neighborhood Behavior in Lead Optimization and Array Design.

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

J. Chem. Inf. Model., 2009

Quantum Isostere Database: A Web-Based Tool Using Quantum Chemical Topology To Predict Bioisosteric Replacements for Drug Design.

Michael Devereux, Paul L. A. Popelier, Iain M. McLay

J. Chem. Inf. Model., 2009

Toward an <i>ab initio</i> fragment database for bioisosterism: Dependence of QCT properties on level of theory, conformation, and chemical environment.

Michael Devereux, Paul L. A. Popelier, Iain M. McLay

J. Comput. Chem., 2009

2006

Knowledge-Based Interaction Fingerprint Scoring: A Simple Method for Improving the Effectiveness of Fast Scoring Functions.

Chidochangu P. Mpamhanga, Beining Chen, Iain M. McLay, Peter Willett

J. Chem. Inf. Model., 2006

2005

Retrospective Docking Study of PDE4B Ligands and an Analysis of the Behavior of Selected Scoring Functions.

Chidochangu P. Mpamhanga, Beining Chen, Iain M. McLay, Daniel L. Ormsby, Mika K. Lindvall

J. Chem. Inf. Model., 2005

2000

Enhancing the Hit-to-Lead Properties of Lead Optimization Libraries.

Stephen D. Pickett, Iain M. McLay, David E. Clark

J. Chem. Inf. Comput. Sci., 2000

1997

Similarity Measures for Rational Set Selection and Analysis of Combinatorial Libraries: The Diverse Property-Derived (DPD) Approach.

Richard A. Lewis, Jonathan S. Mason, Iain M. McLay

J. Chem. Inf. Comput. Sci., 1997

1996

Diversity Profiling and Design Using 3D Pharmacophores: Pharmacophore-Derived Queries (PDQ).

Stephen D. Pickett, Jonathan S. Mason, Iain M. McLay

J. Chem. Inf. Comput. Sci., 1996