P. Duane Walker

Publication Activity (10 Years)

Years Active: 1993-1996
Publications (10 Years): 0

Publications

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. J. Chem. Inf. Comput. Sci. 36 (3) (1996)
P. Duane Walker, Paul G. Mezey
Toward Similarity Measures for Macromolecular Bodies: MEDLA Test Calculations for Substituted Benzene Systems. J. Comput. Chem. 16 (10) (1995)
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. J. Chem. Inf. Comput. Sci. 35 (3) (1995)
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. J. Comput. Chem. 16 (12) (1995)
P. Duane Walker, Gustavo A. Arteca, Paul G. Mezey
Shape groups of the electronic isodensity surfaces for small molecules: Shapes of 10-electron hydrides. J. Comput. Chem. 14 (10) (1993)