2006 |
21 | EE | Robert P. Sheridan,
Peter Hunt,
J. Christopher Culberson:
Molecular Transformations as a Way of Finding and Exploiting Consistent Local QSAR.
Journal of Chemical Information and Modeling 46(1): 180-192 (2006) |
2005 |
20 | EE | Vladimir Svetnik,
Ting Wang,
Christopher Tong,
Andy Liaw,
Robert P. Sheridan,
Qinghua Song:
Boosting: An Ensemble Learning Tool for Compound Classification and QSAR Modeling.
Journal of Chemical Information and Modeling 45(3): 786-799 (2005) |
19 | EE | Vladimir N. Maiorov,
Robert P. Sheridan:
Enhanced Virtual Screening by Combined Use of Two Docking Methods: Getting the Most on a Limited Budget.
Journal of Chemical Information and Modeling 45(4): 1017-1023 (2005) |
18 | 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 |
17 | EE | Robert P. Sheridan,
Joseph Shpungin:
Calculating Similarities between Biological Activities in the MDL Drug Data Report Database.
Journal of Chemical Information and Modeling 44(2): 727-740 (2004) |
16 | 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) |
2003 |
15 | EE | Robert P. Sheridan:
Finding Multiactivity Substructures by Mining Databases of Drug-Like Compounds.
Journal of Chemical Information and Computer Sciences 43(3): 1037-1050 (2003) |
14 | EE | Vladimir Svetnik,
Andy Liaw,
Christopher Tong,
J. Christopher Culberson,
Robert P. Sheridan,
Bradley P. Feuston:
Random Forest: A Classification and Regression Tool for Compound Classification and QSAR Modeling.
Journal of Chemical Information and Computer Sciences 43(6): 1947-1958 (2003) |
2002 |
13 | EE | Robert P. Sheridan:
The Most Common Chemical Replacements in Drug-Like Compounds.
Journal of Chemical Information and Computer Sciences 42(1): 103-108 (2002) |
2001 |
12 | 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) |
2000 |
11 | EE | Robert P. Sheridan:
The Centroid Approximation for Mixtures: Calculating Similarity and Deriving Structure-Activity Relationships.
Journal of Chemical Information and Computer Sciences 40(6): 1456-1469 (2000) |
1998 |
10 | EE | Robert P. Sheridan,
Michael D. Miller:
A Method for Visualizing Recurrent Topological Substructures in Sets of Active Molecules.
Journal of Chemical Information and Computer Sciences 38(5): 915-924 (1998) |
1996 |
9 | 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) |
8 | 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 |
7 | | 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 |
6 | | 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) |
5 | | Robert P. Sheridan,
Robert B. Nachbar,
Bruce L. Bush:
Extending the trend vector: The trend matrix and sample-based partial least squares.
Journal of Computer-Aided Molecular Design 8(3): 323-340 (1994) |
4 | | 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 |
3 | EE | Bruce L. Bush,
Robert P. Sheridan:
PATTY: A programmable atom type and language for automatic classification of atoms in molecular databases.
Journal of Chemical Information and Computer Sciences 33(5): 756-762 (1993) |
1989 |
2 | EE | Andrew Rusinko III,
Robert P. Sheridan,
Ramaswamy Nilakantan,
Kevin S. Haraki,
Norman Bauman,
R. Venkataraghavan:
Using CONCORD to construct a large database of three-dimensional coordinates from connection tables.
Journal of Chemical Information and Computer Sciences 29(4): 251-255 (1989) |
1 | EE | Robert P. Sheridan,
Ramaswamy Nilakantan,
Andrew Rusinko III,
Norman Bauman,
Kevin S. Haraki,
R. Venkataraghavan:
3DSEARCH: a system for three-dimensional substructure searching.
Journal of Chemical Information and Computer Sciences 29(4): 255-260 (1989) |