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Iain M. McLay

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2009
6EEMichael 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. Journal of Computational Chemistry 30(8): 1300-1318 (2009)
2006
5EEChidochangu 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. Journal of Chemical Information and Modeling 46(2): 686-698 (2006)
2005
4EEChidochangu 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. Journal of Chemical Information and Modeling 45(4): 1061-1074 (2005)
2000
3EEStephen D. Pickett, Iain M. McLay, David E. Clark: Enhancing the Hit-to-Lead Properties of Lead Optimization Libraries. Journal of Chemical Information and Computer Sciences 40(2): 263-272 (2000)
1997
2EERichard 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. Journal of Chemical Information and Computer Sciences 37(3): 599-614 (1997)
1996
1EEStephen D. Pickett, Jonathan S. Mason, Iain M. McLay: Diversity Profiling and Design Using 3D Pharmacophores: Pharmacophore-Derived Queries (PDQ). Journal of Chemical Information and Computer Sciences 36(6): 1214-1223 (1996)

Coauthor Index

1Beining Chen [4] [5]
2David E. Clark [3]
3Michael Devereux [6]
4Richard A. Lewis [2]
5Mika K. Lindvall [4]
6Jonathan S. Mason [1] [2]
7Chidochangu P. Mpamhanga [4] [5]
8Daniel L. Ormsby [4]
9Stephen D. Pickett [1] [3]
10Paul L. A. Popelier [6]
11Peter Willett [5]

Colors in the list of coauthors

Copyright © Sun May 17 03:24:02 2009 by Michael Ley (ley@uni-trier.de)