David A. Cosgrove

11 papers Journal 11
YearRankTypeTitle / Venue / Authors
2019 J jnl
Alignment-Free Molecular Shape Comparison Using Spectral Geometry: The Framework.
J. Chem. Inf. Model.
Matthew P. Seddon, David A. Cosgrove, Martin J. Packer, Valerie J. Gillet
2014 J jnl
Investigation of the Use of Spectral Clustering for the Analysis of Molecular Data.
J. Chem. Inf. Model.
Sonny Gan, David A. Cosgrove, Eleanor J. Gardiner, Valerie J. Gillet
2013 J jnl
An Extensive and Diverse Set of Molecular Overlays for the Validation of Pharmacophore Programs.
J. Chem. Inf. Model.
Ilenia Giangreco, David A. Cosgrove, Martin J. Packer
2012 J jnl
A System for Encoding and Searching Markush Structures.
J. Chem. Inf. Model.
David A. Cosgrove, Keith M. Green, Andrew Leach, Andrew R. Poirrette, Jon Winter
2012 J jnl
Development and validation of an improved algorithm for overlaying flexible molecules.
J. Comput. Aided Mol. Des.
Robin Taylor, Jason C. Cole, David A. Cosgrove, Eleanor J. Gardiner, Valerie J. Gillet, Oliver Korb
2009 J jnl
Design of compound libraries for fragment screening.
J. Comput. Aided Mol. Des.
Niklas Blomberg, David A. Cosgrove, Peter W. Kenny, Karin Kolmodin
2009 J jnl
Multiobjective Optimization of Pharmacophore Hypotheses: Bias Toward Low-Energy Conformations.
J. Chem. Inf. Model.
Eleanor J. Gardiner, David A. Cosgrove, Robin Taylor, Valerie J. Gillet
2007 J jnl
Representing Clusters Using a Maximum Common Edge Substructure Algorithm Applied to Reduced Graphs and Molecular Graphs.
J. Chem. Inf. Model.
Eleanor J. Gardiner, Valerie J. Gillet, Peter Willett, David A. Cosgrove
2006 J jnl
Scaffold Hopping Using Clique Detection Applied to Reduced Graphs.
J. Chem. Inf. Model.
Edward J. Barker, David Buttar, David A. Cosgrove, Eleanor J. Gardiner, Paula Kitts, Peter Willett, Valerie J. Gillet
2005 J jnl
Lead Hopping Using SVM and 3D Pharmacophore Fingerprints.
J. Chem. Inf. Model.
Jamal C. Saeh, Paul D. Lyne, Bryan K. Takasaki, David A. Cosgrove
2000 J jnl
A novel method of aligning molecules by local surface shape similarity.
J. Comput. Aided Mol. Des.
David A. Cosgrove, Denis M. Bayada, A. Peter Johnson