1996 |
4 | 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) |
1995 |
3 | | 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) |
2 | | 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) |
1 | | 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) |