Paul G. Mezey

Publication Activity (10 Years)

Years Active: 1988-2019
Publications (10 Years): 5

Top Topics

High Similarity

Error Reduction

Sampling Strategies

Top Venues

J. Comput. Methods Sci. Eng.

J. Comput. Chem.

Publications

Zoltan Antal, Paul G. Mezey
A modified ADMA linear scaling macromolecular method for enhanced detection of induced molecular shape changes. J. Comput. Methods Sci. Eng. 19 (1) (2019)
Paul G. Mezey, Zoltan Antal
An alternative to the "Star Path" enhancement of the ADMA linear scaling method for protein modeling. J. Comput. Chem. 38 (20) (2017)
Paul G. Mezey
On the dimension dependence of the level of optimality of certain multidimensional sampling strategies. J. Comput. Methods Sci. Eng. 16 (4) (2016)
Paul G. Mezey
Iterated similarity sequences and factorial level similarities in databases. J. Comput. Methods Sci. Eng. 16 (4) (2016)
Paul G. Mezey
A trigonometrically scaled multiple tiling approach for error reduction of models built from fuzzy fragments. J. Comput. Methods Sci. Eng. 16 (4) (2016)
Jenna L. Wang, Paul G. Mezey
The Electronic Structures and Properties of Open-Ended and Capped Carbon Nanoneedles. J. Chem. Inf. Model. 46 (2) (2006)
Jenna L. Wang, Gerald H. Lushington, Paul G. Mezey
Stability and Electronic Properties of Nitrogen Nanoneedles and Nanotubes. J. Chem. Inf. Model. 46 (5) (2006)
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. J. Chem. Inf. Model. 45 (4) (2005)
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. J. Comput. Chem. 26 (5) (2005)
Paul G. Mezey
Graph representations of molecular similarity measures based on topological resolution. J. Comput. Methods Sci. Eng. 5 (1) (2005)
Qishi Du, Peng-Jun Liu, Paul G. Mezey
Theoretical Derivation of Heuristic Molecular Lipophilicity Potential: A Quantum Chemical Description for Molecular Solvation. J. Chem. Inf. Model. 45 (2) (2005)
Thomas E. Exner, Paul G. Mezey
Ab initio quality properties for macromolecules using the ADMA approach. J. Comput. Chem. 24 (16) (2003)
Paul G. Mezey
Distributions and Averages of Molecular Conformations. Comput. Chem. 25 (1) (2001)
Paul G. Mezey
Holographic Electron Density Shape Theorem and Its Role in Drug Design and Toxicological Risk Assessment. J. Chem. Inf. Comput. Sci. 39 (2) (1999)
Paul G. Mezey
Topological methods of molecular shape analysis: Continuum models and discretization. Discrete Mathematical Chemistry (1998)
Paul G. Mezey
Averaged electron densities for averaged conformations. J. Comput. Chem. 19 (12) (1998)
Qishi Du, Paul G. Mezey
Heuristic lipophilicity potential for computer-aided rational drug design: Optimizations of screening functions and parameters. J. Comput. Aided Mol. Des. 12 (5) (1998)
Qishi Du, Gustavo A. Arteca, Paul G. Mezey
Heuristic lipophilicity potential for computer-aided rational drug design. J. Comput. Aided Mol. Des. 11 (5) (1997)
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)
Frank Harary, William Randolph, Paul G. Mezey
A Study of Maximum Unit-circle Caterpillars - Tools for the Study of the Shape of Adsorption Patterns. Discret. Appl. Math. 67 (1-3) (1996)
Paul G. Mezey
Theorems on Molecular Shape-Similarity Descriptors: External T-Plasters and Interior T-Aggregates. J. Chem. Inf. Comput. Sci. 36 (6) (1996)
Milan Randic, Paul G. Mezey
Palindromic Perimeter Codes and Chirality Properties of Polyhexes. J. Chem. Inf. Comput. Sci. 36 (6) (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)
Paul G. Mezey
The T-Hull Approach to Shape Analysis. CCCG (1994)
Paul G. Mezey
Iterated similarity sequences and shape ID numbers for molecules. J. Chem. Inf. Comput. Sci. 34 (2) (1994)
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)
Paul G. Mezey
Shape-similarity measures for molecular bodies: A 3D topological approach to quantitative shape-activity relations. J. Chem. Inf. Comput. Sci. 32 (6) (1992)
Frank Harary, Paul G. Mezey
Embedding and characterization of quantum chemical reaction graphs on two-dimensional orientable surfaces. Discret. Appl. Math. 19 (1-3) (1988)