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Journal Articles
- 2019
[j11]Matthew P. Seddon, David A. Cosgrove, Martin J. Packer, Valerie J. Gillet
:
Alignment-Free Molecular Shape Comparison Using Spectral Geometry: The Framework. J. Chem. Inf. Model. 59(1): 98-116 (2019)- 2014
- [j10]Sonny Gan, David A. Cosgrove, Eleanor J. Gardiner, Valerie J. Gillet:
Investigation of the Use of Spectral Clustering for the Analysis of Molecular Data. J. Chem. Inf. Model. 54(12): 3302-3319 (2014) - 2013
- [j9]Ilenia Giangreco, David A. Cosgrove, Martin J. Packer:
An Extensive and Diverse Set of Molecular Overlays for the Validation of Pharmacophore Programs. J. Chem. Inf. Model. 53(4): 852-866 (2013) - 2012
- [j8]Robin Taylor, Jason C. Cole, David A. Cosgrove, Eleanor J. Gardiner, Valerie J. Gillet, Oliver Korb:
Development and validation of an improved algorithm for overlaying flexible molecules. J. Comput. Aided Mol. Des. 26(4): 451-472 (2012) - [j7]David A. Cosgrove, Keith M. Green, Andrew Leach, Andrew R. Poirrette, Jon Winter:
A System for Encoding and Searching Markush Structures. J. Chem. Inf. Model. 52(8): 1936-1947 (2012) - 2009
- [j6]Niklas Blomberg, David A. Cosgrove, Peter W. Kenny, Karin Kolmodin:
Design of compound libraries for fragment screening. J. Comput. Aided Mol. Des. 23(8): 513-525 (2009) - [j5]Eleanor J. Gardiner, David A. Cosgrove, Robin Taylor, Valerie J. Gillet:
Multiobjective Optimization of Pharmacophore Hypotheses: Bias Toward Low-Energy Conformations. J. Chem. Inf. Model. 49(12): 2761-2773 (2009) - 2007
- [j4]Eleanor J. Gardiner, Valerie J. Gillet, Peter Willett, David A. Cosgrove:
Representing Clusters Using a Maximum Common Edge Substructure Algorithm Applied to Reduced Graphs and Molecular Graphs. J. Chem. Inf. Model. 47(2): 354-366 (2007) - 2006
- [j3]Edward J. Barker, David Buttar, David A. Cosgrove, Eleanor J. Gardiner, Paula Kitts, Peter Willett, Valerie J. Gillet:
Scaffold Hopping Using Clique Detection Applied to Reduced Graphs. J. Chem. Inf. Model. 46(2): 503-511 (2006) - 2005
- [j2]Jamal C. Saeh, Paul D. Lyne, Bryan K. Takasaki, David A. Cosgrove:
Lead Hopping Using SVM and 3D Pharmacophore Fingerprints. J. Chem. Inf. Model. 45(4): 1122-1133 (2005) - 2000
- [j1]David A. Cosgrove, Denis M. Bayada, A. Peter Johnson:
A novel method of aligning molecules by local surface shape similarity. J. Comput. Aided Mol. Des. 14(6): 573-591 (2000)
Coauthor Index
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