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ORCIDIain M. McLay
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2000 – 2009
- 2009
[j8]Michael Devereux
, Paul L. A. Popelier, Iain M. McLay:
Toward an ab initio fragment database for bioisosterism: Dependence of QCT properties on level of theory, conformation, and chemical environment. J. Comput. Chem. 30(8): 1300-1318 (2009)- [j7]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): 195-208 (2009) - [j6]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): 1497-1513 (2009) - 2006
- [j5]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): 686-698 (2006) - 2005
- [j4]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): 1061-1074 (2005) - 2000
- [j3]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): 263-272 (2000)
1990 – 1999
- 1997
- [j2]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): 599-614 (1997) - 1996
- [j1]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): 1214-1223 (1996)
Coauthor Index
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