2003 |
10 | EE | Valerie J. Gillet,
Peter Willett,
John Bradshaw:
Similarity Searching Using Reduced Graphs.
Journal of Chemical Information and Computer Sciences 43(2): 338-345 (2003) |
2001 |
9 | EE | Gavin Harper,
John Bradshaw,
John C. Gittins,
Darren V. S. Green,
Andrew R. Leach:
Prediction of Biological Activity for High-Throughput Screening Using Binary Kernel Discrimination.
Journal of Chemical Information and Computer Sciences 41(5): 1295-1300 (2001) |
1999 |
8 | EE | Martin J. Bayley,
Valerie J. Gillet,
Peter Willett,
John Bradshaw,
Darren V. S. Green:
Computational analysis of molecular diversity for drug discovery.
RECOMB 1999: 321-330 |
7 | EE | Valerie J. Gillet,
Peter Willett,
John Bradshaw,
Darren V. S. Green:
Selecting Combinatorial Libraries to Optimize Diversity and Physical Properties.
Journal of Chemical Information and Computer Sciences 39(1): 169-177 (1999) |
6 | EE | Andrew R. Leach,
John Bradshaw,
Darren V. S. Green,
Michael M. Hann,
John J. Delany III:
Implementation of a System for Reagent Selection and Library Enumeration, Profiling, and Design.
Journal of Chemical Information and Computer Sciences 39(6): 1161-1172 (1999) |
1998 |
5 | | Valerie J. Gillet,
David J. Wild,
Peter Willett,
John Bradshaw:
Similarity and Dissimilarity Methods for Processing Chemical Structure Databases.
Comput. J. 41(8): 547-558 (1998) |
4 | EE | Valerie J. Gillet,
Peter Willett,
John Bradshaw:
Identification of Biological Activity Profiles Using Substructural Analysis and Genetic Algorithms.
Journal of Chemical Information and Computer Sciences 38(2): 165-179 (1998) |
1997 |
3 | EE | Valerie J. Gillet,
Peter Willett,
John Bradshaw:
The Effectiveness of Reactant Pools for Generating Structurally-Diverse Combinatorial Libraries.
Journal of Chemical Information and Computer Sciences 37(4): 731-740 (1997) |
1995 |
2 | | Shaun N. Jordan,
Andrew R. Leach,
John Bradshaw:
The Application of Neural Networks in Conformational Analysis, 1. Prediction of Minimum and Maximum Interatomic Distances.
Journal of Chemical Information and Computer Sciences 35(3): 640-650 (1995) |
1993 |
1 | EE | Eleanor M. Ricketts,
John Bradshaw,
Mike Hann,
Fiona Hayes,
Neil Tanna,
David M. Ricketts:
Comparison of conformations of small molecule structures from the Protein Data Bank with those generated by Concord, Cobra, ChemDBS-3D, and Converter and those extracted from the Cambridge Structural Database.
Journal of Chemical Information and Computer Sciences 33(6): 905-925 (1993) |