David A. Cosgrove

According to our database, David A. Cosgrove authored at least 11 papers between 2000 and 2019.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2019

Alignment-Free Molecular Shape Comparison Using Spectral Geometry: The Framework.

Matthew P. Seddon, David A. Cosgrove, Martin J. Packer, Valerie J. Gillet

J. Chem. Inf. Model., 2019

2014

Investigation of the Use of Spectral Clustering for the Analysis of Molecular Data.

Sonny Gan, David A. Cosgrove, Eleanor J. Gardiner, Valerie J. Gillet

J. Chem. Inf. Model., 2014

2013

An Extensive and Diverse Set of Molecular Overlays for the Validation of Pharmacophore Programs.

Ilenia Giangreco, David A. Cosgrove, Martin J. Packer

J. Chem. Inf. Model., 2013

2012

A System for Encoding and Searching Markush Structures.

David A. Cosgrove, Keith M. Green, Andrew Leach, Andrew R. Poirrette, Jon Winter

J. Chem. Inf. Model., 2012

Development and validation of an improved algorithm for overlaying flexible molecules.

Robin Taylor, Jason C. Cole, David A. Cosgrove, Eleanor J. Gardiner, Valerie J. Gillet, Oliver Korb

J. Comput. Aided Mol. Des., 2012

2009

Multiobjective Optimization of Pharmacophore Hypotheses: Bias Toward Low-Energy Conformations.

Eleanor J. Gardiner, David A. Cosgrove, Robin Taylor, Valerie J. Gillet

J. Chem. Inf. Model., 2009

Design of compound libraries for fragment screening.

Niklas Blomberg, David A. Cosgrove, Peter W. Kenny, Karin Kolmodin

J. Comput. Aided Mol. Des., 2009

2007

Representing Clusters Using a Maximum Common Edge Substructure Algorithm Applied to Reduced Graphs and Molecular Graphs.

Eleanor J. Gardiner, Valerie J. Gillet, Peter Willett, David A. Cosgrove

J. Chem. Inf. Model., 2007

2006

Scaffold Hopping Using Clique Detection Applied to Reduced Graphs.

Edward J. Barker, David Buttar, David A. Cosgrove, Eleanor J. Gardiner, Paula Kitts, Peter Willett, Valerie J. Gillet

J. Chem. Inf. Model., 2006

2005

Lead Hopping Using SVM and 3D Pharmacophore Fingerprints.

Jamal C. Saeh, Paul D. Lyne, Bryan K. Takasaki, David A. Cosgrove

J. Chem. Inf. Model., 2005

2000

A novel method of aligning molecules by local surface shape similarity.

David A. Cosgrove, Denis M. Bayada, A. Peter Johnson

J. Comput. Aided Mol. Des., 2000