2006 |
16 | EE | Andrew R. Leach:
Regulation by reputation.
Computers & OR 33: 409-425 (2006) |
2002 |
15 | EE | Yogendra Patel,
Valerie J. Gillet,
Gianpaolo Bravi,
Andrew R. Leach:
A comparison of the pharmacophore identification programs: Catalyst, DISCO and GASP.
Journal of Computer-Aided Molecular Design 16(8-9): 653-681 (2002) |
2001 |
14 | EE | Michael M. Hann,
Andrew R. Leach,
Gavin Harper:
Molecular Complexity and Its Impact on the Probability of Finding Leads for Drug Discovery.
Journal of Chemical Information and Computer Sciences 41(3): 856-864 (2001) |
13 | 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) |
2000 |
12 | EE | Andrew R. Leach,
Darren V. S. Green,
Michael M. Hann,
Duncan B. Judd,
Andrew C. Good:
Where Are the GaPs? A Rational Approach to Monomer Acquisition and Selection.
Journal of Chemical Information and Computer Sciences 40(5): 1262-1269 (2000) |
11 | EE | Gianpaolo Bravi,
Darren V. S. Green,
Michael M. Hann,
Andrew R. Leach:
PLUMS: a Program for the Rapid Optimization of Focused Libraries.
Journal of Chemical Information and Computer Sciences 40(6): 1441-1448 (2000) |
1999 |
10 | 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) |
1995 |
9 | | 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) |
8 | | Andrew R. Leach,
Teri E. Klein:
A Molecualr Dynamics Study of the Inhibition of Chicken Dihydrofolate Reductase by a Phenyl Triazine.
Journal of Computational Chemistry 16(11): 1378-1393 (1995) |
1994 |
7 | EE | Andrew R. Leach:
An Algorithm To Directly Identify a Molecule's "Most Different" Conformations.
Journal of Chemical Information and Computer Sciences 34(3): 661-670 (1994) |
6 | | Andrew R. Leach,
Richard A. Lewis:
A Ring-Bracing Approach to Computer-Assisted Ligand Design.
Journal of Computational Chemistry 15(2): 233-240 (1994) |
5 | | Andrew R. Leach,
Simon R. Kilvington:
Automated molecular design: A new fragment-joining algorithm.
Journal of Computer-Aided Molecular Design 8(3): 283-298 (1994) |
4 | | Richard A. Lewis,
Andrew R. Leach:
Current methods for site-directed structure generation.
Journal of Computer-Aided Molecular Design 8(4): 467-475 (1994) |
1993 |
3 | | Andrew R. Leach:
Constitutional, configurational and conformational analysis of transition metal coordination complexes.
Journal of Computer-Aided Molecular Design 7(2): 225-240 (1993) |
1992 |
2 | EE | Andrew R. Leach,
Andrew Smellie:
A combined model-building and distance-geometry approach to automated conformational analysis and search.
Journal of Chemical Information and Computer Sciences 32(4): 379-385 (1992) |
1990 |
1 | EE | Andrew R. Leach,
Daniel P. Dolata,
Keith Prout:
Automated conformational analysis and structure generation: algorithms for molecular perception.
Journal of Chemical Information and Computer Sciences 30(3): 316-324 (1990) |