2009 |
6 | EE | 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.
Journal of Computational Chemistry 30(8): 1300-1318 (2009) |
2006 |
5 | EE | 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.
Journal of Chemical Information and Modeling 46(2): 686-698 (2006) |
2005 |
4 | EE | 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.
Journal of Chemical Information and Modeling 45(4): 1061-1074 (2005) |
2000 |
3 | EE | Stephen 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 |
2 | EE | 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.
Journal of Chemical Information and Computer Sciences 37(3): 599-614 (1997) |
1996 |
1 | EE | Stephen 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) |