David A. Cosgrove

Publication Activity (10 Years)

Years Active: 2000-2019
Publications (10 Years): 1

Top Topics

Project Management

Spectral Clustering

Clustering Quality

Top Venues

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

Publications

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) (2019)
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) (2014)
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) (2013)
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) (2012)
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) (2012)
Niklas Blomberg, David A. Cosgrove, Peter W. Kenny, Karin Kolmodin
Design of compound libraries for fragment screening. J. Comput. Aided Mol. Des. 23 (8) (2009)
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) (2009)
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) (2007)
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) (2006)
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) (2005)
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) (2000)