| 2006 |
|---|
| 10 | EE | Philippa R. N. Wolohan,
Lakshmi B. Akella,
Roman J. Dorfman,
Peter G. Nell,
Stefan M. Mundt,
Robert D. Clark:
Structural Unit Analysis Identifies Lead Series and Facilitates Scaffold Hopping in Combinatorial Chemistry.
Journal of Chemical Information and Modeling 46(3): 1188-1193 (2006) |
| 9 | EE | Alex Strizhev,
Edmond J. Abrahamian,
Sun Choi,
Joseph M. Leonard,
Philippa R. N. Wolohan,
Robert D. Clark:
The Effects of Biasing Torsional Mutations in a Conformational GA.
Journal of Chemical Information and Modeling 46(4): 1862-1870 (2006) |
| 2003 |
|---|
| 8 | EE | Edmond J. Abrahamian,
Peter C. Fox,
Lars Nærum,
Inge Thøger Christensen,
Henning Thøgersen,
Robert D. Clark:
Efficient Generation, Storage, and Manipulation of Fully Flexible Pharmacophore Multiplets and Their Use in 3-D Similarity Searching.
Journal of Chemical Information and Computer Sciences 43(2): 458-468 (2003) |
| 7 | EE | Robert D. Clark,
Julia Kar,
Lakshmi B. Akella,
Farhad Soltanshahi:
OptDesign: Extending Optimizable k-Dissimilarity Selection to Combinatorial Library Design.
Journal of Chemical Information and Computer Sciences 43(3): 829-836 (2003) |
| 6 | EE | Li Xing,
Robert C. Glen,
Robert D. Clark:
Predicting pKa by Molecular Tree Structured Fingerprints and PLS.
Journal of Chemical Information and Computer Sciences 43(3): 870-879 (2003) |
| 5 | EE | Philippa R. N. Wolohan,
Robert D. Clark:
Predicting drug pharmacokinetic properties using molecular interaction fields and SIMCA.
Journal of Computer-Aided Molecular Design 17(1): 65-76 (2003) |
| 4 | | Robert D. Clark:
Boosted leave-many-out cross-validation: the effect of training and test set diversity on PLS statistics.
Journal of Computer-Aided Molecular Design 17(2-4): 265-275 (2003) |
| 1998 |
|---|
| 3 | EE | Richard D. Cramer,
David E. Patterson,
Robert D. Clark,
Farhad Soltanshahi,
Michael S. Lawless:
Virtual Compound Libraries: A New Approach to Decision Making in Molecular Discovery Research.
Journal of Chemical Information and Computer Sciences 38(6): 1010-1023 (1998) |
| 2 | EE | Robert D. Clark,
William J. Langton:
Balancing Representativeness Against Diversity using Optimizable K-Dissimilarity and Hierarchical Clustering.
Journal of Chemical Information and Computer Sciences 38(6): 1079-1086 (1998) |
| 1997 |
|---|
| 1 | EE | Robert D. Clark:
OptiSim: An Extended Dissimilarity Selection Method for Finding Diverse Representative Subsets.
Journal of Chemical Information and Computer Sciences 37(6): 1181-1188 (1997) |
