2006 |
13 | EE | Gerald M. Maggiora:
On Outliers and Activity Cliffs-Why QSAR Often Disappoints.
Journal of Chemical Information and Modeling 46(4): 1535 (2006) |
2004 |
12 | EE | Suzanne K. Schreyer,
Christian N. Parker,
Gerald M. Maggiora:
Data Shaving: A Focused Screening Approach.
Journal of Chemical Information and Modeling 44(2): 470-479 (2004) |
2000 |
11 | EE | Jordi Mestres,
Douglas C. Rohrer,
Gerald M. Maggiora:
A molecular-field-based similarity study of non-nucleoside HIV-1 reverse transcriptase inhibitors. 2. The relationship between alignment solutions obtained from conformationally rigid and flexible matching.
Journal of Computer-Aided Molecular Design 14(1): 39-51 (2000) |
1999 |
10 | EE | James R. Blinn,
Douglas C. Rohrer,
Gerald M. Maggiora:
Field-Based Similarity Forcing in Energy Minimization and Molecular Matching.
Pacific Symposium on Biocomputing 1999: 415-425 |
9 | EE | Jordi Mestres,
Douglas C. Rohrer,
Gerald M. Maggiora:
A molecular-field-based similarity study of non-nucleoside HIV-1 reverse transcriptase inhibitors.
Journal of Computer-Aided Molecular Design 13(1): 79-93 (1999) |
1997 |
8 | EE | Jordi Mestres,
Douglas C. Rohrer,
Gerald M. Maggiora:
MIMIC: A molecular-field matching program. Exploiting applicability of molecular similarity approaches.
Journal of Computational Chemistry 18(7): 934-954 (1997) |
1996 |
7 | EE | Cheng Cheng,
Gerald M. Maggiora,
Michael Lajiness,
Mark A. Johnson:
Four Association Coefficients for Relating Molecular Similarity Measures.
Journal of Chemical Information and Computer Sciences 36(4): 909-915 (1996) |
1995 |
6 | | P. Duane Walker,
Gerald M. Maggiora,
Mark A. Johnson,
James D. Petke,
Paul G. Mezey:
Shape Group Analysis of Molecular Similarity: Shape Similarity of Six-Membered Aromatic Ring Systems.
Journal of Chemical Information and Computer Sciences 35(3): 568-578 (1995) |
5 | | P. Duane Walker,
Paul G. Mezey,
Gerald M. Maggiora,
Mark A. Johnson,
James D. Petke:
Application of the Shape Group Method to Conformation Processes: Shape and Conjugation Changes in the Conformers of 2-Phenyl Pyrimidine.
Journal of Computational Chemistry 16(12): 1474-1482 (1995) |
1994 |
4 | | L. A. Parodi,
C. A. Granatir,
Gerald M. Maggiora:
A consensus procedure for predicting the location of alpha-helical transmembrane segments in proteins.
Computer Applications in the Biosciences 10(5): 527-535 (1994) |
1992 |
3 | EE | Gerald M. Maggiora,
David W. Elrod,
Robert G. Trenary:
Computational neural networks as model-free mapping devices.
Journal of Chemical Information and Computer Sciences 32(6): 732-741 (1992) |
1990 |
2 | EE | David W. Elrod,
Gerald M. Maggiora,
Robert G. Trenary:
Applications of neural networks in chemistry. 1. Prediction of electrophilic aromatic substitution reactions.
Journal of Chemical Information and Computer Sciences 30(4): 477-484 (1990) |
1989 |
1 | | David W. Elrod,
Gerald M. Maggiora,
Robert G. Trenary:
Predicting Chemical Reactions with a Neural Network.
Great Lakes Computer Science Conference 1989: 392-398 |