2005 |
10 | EE | Ralph T. Mosley,
J. Christopher Culberson,
Bryan Kraker,
Bradley P. Feuston,
Robert P. Sheridan,
John F. Conway,
Joseph K. Forbes,
Subhas J. Chakravorty,
Simon K. Kearsley:
Reagent Selector: Using Synthon Analysis to Visualize Reagent Properties and Assist in Combinatorial Library Design.
Journal of Chemical Information and Modeling 45(5): 1439-1446 (2005) |
2004 |
9 | EE | Robert P. Sheridan,
Bradley P. Feuston,
Vladimir N. Maiorov,
Simon K. Kearsley:
Similarity to Molecules in the Training Set Is a Good Discriminator for Prediction Accuracy in QSAR.
Journal of Chemical Information and Modeling 44(6): 1912-1928 (2004) |
2001 |
8 | EE | Bradley P. Feuston,
Michael D. Miller,
J. Christopher Culberson,
Robert B. Nachbar,
Simon K. Kearsley:
Comparison of Knowledge-Based and Distance Geometry Approaches for Generation of Molecular Conformations.
Journal of Chemical Information and Computer Sciences 41(3): 754-763 (2001) |
7 | EE | Robert P. Sheridan,
Suresh B. Singh,
Eugene M. Fluder,
Simon K. Kearsley:
Protocols for Bridging the Peptide to Nonpeptide Gap in Topological Similarity Searches.
Journal of Chemical Information and Computer Sciences 41(5): 1395-1406 (2001) |
1996 |
6 | EE | Simon K. Kearsley,
Susan Sallamack,
Eugene M. Fluder,
Joseph D. Andose,
Ralph T. Mosley,
Robert P. Sheridan:
Chemical Similarity Using Physiochemical Property Descriptors.
Journal of Chemical Information and Computer Sciences 36(1): 118-127 (1996) |
5 | EE | Robert P. Sheridan,
Michael D. Miller,
Dennis J. Underwood,
Simon K. Kearsley:
Chemical Similarity Using Geometric Atom Pair Descriptors.
Journal of Chemical Information and Computer Sciences 36(1): 128-136 (1996) |
1995 |
4 | | Robert P. Sheridan,
Simon K. Kearsley:
Using a Genetic Algorithm To Suggest Combinatorial Libraries.
Journal of Chemical Information and Computer Sciences 35(2): 310-320 (1995) |
1994 |
3 | | Michael D. Miller,
Simon K. Kearsley,
Dennis J. Underwood,
Robert P. Sheridan:
FLOG: A system to select 'quasi-flexible' ligands complementary to a receptor of known three-dimensional structure.
Journal of Computer-Aided Molecular Design 8(2): 153-174 (1994) |
2 | | Simon K. Kearsley,
Dennis J. Underwood,
Robert P. Sheridan,
Michael D. Miller:
Flexibases: A way to enhance the use of molecular docking methods.
Journal of Computer-Aided Molecular Design 8(5): 565-582 (1994) |
1993 |
1 | EE | Simon K. Kearsley:
A Quick Robust Method for Assigning a Kekulé Structure.
Computers & Chemistry 17(1): 1-10 (1993) |