2006 |
20 | EE | Jenna L. Wang,
Paul G. Mezey:
The Electronic Structures and Properties of Open-Ended and Capped Carbon Nanoneedles.
Journal of Chemical Information and Modeling 46(2): 801-807 (2006) |
2005 |
19 | EE | Qishi Du,
Peng-Jun Liu,
Paul G. Mezey:
Theoretical Derivation of Heuristic Molecular Lipophilicity Potential: A Quantum Chemical Description for Molecular Solvation.
Journal of Chemical Information and Modeling 45(2): 347-353 (2005) |
18 | EE | Lijie Wang,
Peter Warburton,
Zsolt Szekeres,
Peter Surjan,
Paul G. Mezey:
Stability and Properties of Polyhelicenes and Annelated Fused-Ring Carbon Helices: Models Toward Helical Graphites.
Journal of Chemical Information and Modeling 45(4): 850-855 (2005) |
17 | EE | Qishi Du,
Paul G. Mezey,
Kuo-Chen Chou:
Heuristic molecular lipophilicity potential (HMLP): A 2D-QSAR study to LADH of molecular family pyrazole and derivatives.
Journal of Computational Chemistry 26(5): 461-470 (2005) |
2003 |
16 | EE | Thomas E. Exner,
Paul G. Mezey:
Ab initio quality properties for macromolecules using the ADMA approach.
Journal of Computational Chemistry 24(16): 1980-1986 (2003) |
2001 |
15 | EE | Paul G. Mezey:
Distributions and Averages of Molecular Conformations.
Computers & Chemistry 25(1): 69-75 (2001) |
1999 |
14 | EE | Paul G. Mezey:
Holographic Electron Density Shape Theorem and Its Role in Drug Design and Toxicological Risk Assessment.
Journal of Chemical Information and Computer Sciences 39(2): 224-230 (1999) |
1998 |
13 | EE | Paul G. Mezey:
Averaged electron densities for averaged conformations.
Journal of Computational Chemistry 19(12): 1337-1344 (1998) |
12 | EE | Qishi Du,
Paul G. Mezey:
Heuristic lipophilicity potential for computer-aided rational drug design: Optimizations of screening functions and parameters.
Journal of Computer-Aided Molecular Design 12(5): 451-470 (1998) |
1997 |
11 | EE | Qishi Du,
Gustavo A. Arteca,
Paul G. Mezey:
Heuristic lipophilicity potential for computer-aided rational drug design.
Journal of Computer-Aided Molecular Design 11(5): 503-515 (1997) |
1996 |
10 | EE | Frank Harary,
William Randolph,
Paul G. Mezey:
A Study of Maximum Unit-circle Caterpillars - Tools for the Study of the Shape of Adsorption Patterns.
Discrete Applied Mathematics 67(1-3): 127-135 (1996) |
9 | EE | Paul G. Mezey,
Zhigniew Zimpel,
Peter Warburton,
P. Duane Walker,
Donald G. Irvine,
D. George Dixon,
Bruce M. Greenberg:
A High-Resolution Shape-Fragment MEDLA Database for Toxicological Shape Analysis of PAHs.
Journal of Chemical Information and Computer Sciences 36(3): 602-611 (1996) |
8 | EE | Paul G. Mezey:
Theorems on Molecular Shape-Similarity Descriptors: External T-Plasters and Interior T-Aggregates.
Journal of Chemical Information and Computer Sciences 36(6): 1076-1081 (1996) |
7 | EE | Milan Randic,
Paul G. Mezey:
Palindromic Perimeter Codes and Chirality Properties of Polyhexes.
Journal of Chemical Information and Computer Sciences 36(6): 1183-1186 (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:
Toward Similarity Measures for Macromolecular Bodies: MEDLA Test Calculations for Substituted Benzene Systems.
Journal of Computational Chemistry 16(10): 1238-1249 (1995) |
4 | | 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 |
3 | | Paul G. Mezey:
The T-Hull Approach to Shape Analysis.
CCCG 1994: 231-236 |
2 | EE | Paul G. Mezey:
Iterated similarity sequences and shape ID numbers for molecules.
Journal of Chemical Information and Computer Sciences 34(2): 244-247 (1994) |
1992 |
1 | EE | Paul G. Mezey:
Shape-similarity measures for molecular bodies: A 3D topological approach to quantitative shape-activity relations.
Journal of Chemical Information and Computer Sciences 32(6): 650-656 (1992) |