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Eleanor J. Gardiner
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2010 – 2019
- 2015
- [j17]Eleanor J. Gardiner, Valerie J. Gillet
:
Perspectives on Knowledge Discovery Algorithms Recently Introduced in Chemoinformatics: Rough Set Theory, Association Rule Mining, Emerging Patterns, and Formal Concept Analysis. J. Chem. Inf. Model. 55(9): 1781-1803 (2015) - 2014
- [j16]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) - 2012
- [j15]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) - [j14]Richard L. Martin, Eleanor J. Gardiner, Stefan Senger
, Valerie J. Gillet
:
Compression of Molecular Interaction Fields Using Wavelet Thumbnails: Application to Molecular Alignment. J. Chem. Inf. Model. 52(3): 757-769 (2012) - [j13]Nurul Nadzirin
, Eleanor J. Gardiner, Peter Willett, Peter J. Artymiuk, Mohd Firdaus Raih
:
SPRITE and ASSAM: web servers for side chain 3D-motif searching in protein structures. Nucleic Acids Res. 40(Web-Server-Issue): 380-386 (2012) - 2011
- [p1]Eleanor J. Gardiner:
Graph applications in chemoinformatics and structural bioinformatics. Graph Data Management 2011: 386-420
2000 – 2009
- 2009
- [j12]Eleanor J. Gardiner, Christopher A. Hunter, Peter Willett
:
Structural Fingerprints of Transcription Factor Binding Site Regions. Algorithms 2(1): 448-469 (2009) - [j11]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) - [j10]Eleanor J. Gardiner, Valerie J. Gillet
, Maciej Haranczyk
, Jérôme Hert
, John D. Holliday, Nurul Malim
, Yogendra Patel, Peter Willett:
Turbo similarity searching: Effect of fingerprint and dataset on virtual-screening performance. Stat. Anal. Data Min. 2(2): 103-114 (2009) - 2007
- [j9]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
- [j8]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) - [j7]Linda Hirons, Eleanor J. Gardiner, Christopher A. Hunter, Peter Willett:
Structural DNA Profiles: Single Sequence Queries. J. Chem. Inf. Model. 46(2): 743-752 (2006) - [j6]Eleanor J. Gardiner, Linda Hirons, Christopher A. Hunter, Peter Willett:
Genomic Data Analysis Using DNA Structure: An Analysis of Conserved Nongenic Sequences and Ultraconserved Elements. J. Chem. Inf. Model. 46(2): 753-761 (2006) - 2005
- [j5]Martin J. Bayley, Eleanor J. Gardiner, Peter Willett, Peter J. Artymiuk:
A Fourier Fingerprint-Based Method for Protein Surface Representation. J. Chem. Inf. Model. 45(3): 696-707 (2005) - 2003
- [j4]Edward J. Barker, Eleanor J. Gardiner, Valerie J. Gillet
, Paula Kitts, Jeff Morris:
Further Development of Reduced Graphs for Identifying Bioactive Compounds. J. Chem. Inf. Comput. Sci. 43(2): 346-356 (2003) - 2002
- [j3]John W. Raymond, Eleanor J. Gardiner, Peter Willett:
RASCAL: Calculation of Graph Similarity using Maximum Common Edge Subgraphs. Comput. J. 45(6): 631-644 (2002) - [j2]John W. Raymond, Eleanor J. Gardiner, Peter Willett:
Heuristics for Similarity Searching of Chemical Graphs Using a Maximum Common Edge Subgraph Algorithm. J. Chem. Inf. Comput. Sci. 42(2): 305-316 (2002) - 2000
- [j1]Eleanor J. Gardiner, Peter Willett, Peter J. Artymiuk:
Graph-Theoretic Techniques for Macromolecular Docking. J. Chem. Inf. Comput. Sci. 40(2): 273-279 (2000)
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