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Heuristic molecular lipophilicity potential (HMLP): A 2D-QSAR study to LADH of molecular family pyrazole and derivatives

Journal of computational chemistry, 2005-04, Vol.26 (5), p.461-470

2005

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Rules on the changes of approximate symmetry measures along reaction paths

Molecular physics, 2006-03, Vol.104 (5-7), p.723-729

Mezey, P. G.

2006

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Application of promolecular asa densities to graphical representation of density functions of macromolecular systems

Journal of molecular graphics & modelling, 2001-01, Vol.19 (3), p.343-348

2001

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Use of quantitative shape-activity relationships to model the photoinduced toxicity of polycyclic aromatic hydrocarbons: Electron density shape features accurately predict toxicity

Environmental toxicology and chemistry, 1998-07, Vol.17 (7), p.1207-1215

1998

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Chirality Measures and Graph Representations

Computers & mathematics with applications (1987), 1997-12, Vol.34 (11), p.105-112

Mezey, P.G

1997

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Molecular electron density Lego approach to molecule building

Journal of the American Chemical Society, 1993-12, Vol.115 (26), p.12423-12430

1993

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Molecular Shape Analysis of a Maillard Reaction Intermediate

SAR and QSAR in environmental research, 2001-01, Vol.12 (3), p.297-307

2001

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A one-step, diophantine solution to the density matrix purification problem

Molecular physics, 2005-03, Vol.103 (6-8), p.1013-1015

2005

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Fuzzy molecular fragments in drug research

Drug discovery today, 1997-04, Vol.2 (4), p.132-137

1997

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The holographic electron density theorem and quantum similarity measures

Molecular physics, 1999-01, Vol.96 (2), p.169-178

MEZEY, PAUL G.

1999

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Holographic Electron Density Shape Theorem and Its Role in Drug Design and Toxicological Risk Assessment

Journal of Chemical Information and Computer Sciences, 1999-03, Vol.39 (2), p.224-230

Mezey, Paul G

1999

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A fast intrinsic localization procedure applicable for ab initio and semiempirical linear combination of atomic orbital wave functions

The Journal of chemical physics, 1989-05, Vol.90 (9), p.4916-4926

1989

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Ab initio quality properties for macromolecules using the ADMA approach

Journal of computational chemistry, 2003-12, Vol.24 (16), p.1980-1986

2003

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The Field-Adapted ADMA Approach: Introducing Point Charges

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2004-05, Vol.108 (19), p.4301-4309

2004

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Ab Initio-Quality Electrostatic Potentials for Proteins: An Application of the ADMA Approach

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2002-12, Vol.106 (48), p.11791-11800

2002

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A High-Resolution Shape-Fragment MEDLA Database for Toxicological Shape Analysis of PAHs

Journal of Chemical Information and Computer Sciences, 1996-05, Vol.36 (3), p.602-611

1996

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Heuristic lipophilicity potential for computer-aided rational drug design

Journal of computer-aided molecular design, 1997-09, Vol.11 (5), p.503-515

1997

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Realistic, detailed images of proteins and tertiary structure elements: ab initio quality electron density calculations for bovine insulin

Canadian journal of chemistry, 1994-12, Vol.72 (12), p.2531-2536

1994

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Evaluation of the field-adapted ADMA approach : absolute and relative energies of crambin and derivatives

Physical chemistry chemical physics : PCCP, 2005-12, Vol.7 (24), p.4061-4069

2005

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Fractional Simplex Designs for Interaction Screening in Complex Mixtures

Biometrics, 2000-09, Vol.56 (3), p.824-832

2000

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Heuristic lipophilicity potential for computer-aided rational drug design: optimizations of screening functions and parameters

Journal of computer-aided molecular design, 1998-09, Vol.12 (5), p.451-470

1998

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Semisimilarity of molecular bodies: Scaling-nesting similarity measures

International journal of quantum chemistry, 1994-08, Vol.51 (5), p.255-264

Mezey, Paul G.

1994

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A new chiral feature in α-helical domains of proteins

Biopolymers, 1990, Vol.30 (1-2), p.211-214

1990

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A conjecture on the change of electronic density of a molecule under an isotropic dilatation of the nuclear geometry

Journal of mathematical chemistry, 1991-12, Vol.6 (2), p.205-206

1991

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The concept of syntopy. A continuous extension of the symmetry concept for quasi-symmetric structures using fuzzy-set theory

Molecular physics, 1990, Vol.69 (1), p.97-113

1990

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Heuristic molecular lipophilicity potential (HMLP): A 2D-QSAR study to LADH of molecular family pyrazole and derivatives

Rules on the changes of approximate symmetry measures along reaction paths

Application of promolecular asa densities to graphical representation of density functions of macromolecular systems

Use of quantitative shape-activity relationships to model the photoinduced toxicity of polycyclic aromatic hydrocarbons: Electron density shape features accurately predict toxicity

Chirality Measures and Graph Representations

Molecular electron density Lego approach to molecule building

Molecular Shape Analysis of a Maillard Reaction Intermediate

A one-step, diophantine solution to the density matrix purification problem

Fuzzy molecular fragments in drug research

The holographic electron density theorem and quantum similarity measures

Holographic Electron Density Shape Theorem and Its Role in Drug Design and Toxicological Risk Assessment

A fast intrinsic localization procedure applicable for ab initio and semiempirical linear combination of atomic orbital wave functions

Ab initio quality properties for macromolecules using the ADMA approach

The Field-Adapted ADMA Approach: Introducing Point Charges

Ab Initio-Quality Electrostatic Potentials for Proteins: An Application of the ADMA Approach

A High-Resolution Shape-Fragment MEDLA Database for Toxicological Shape Analysis of PAHs

Heuristic lipophilicity potential for computer-aided rational drug design

Realistic, detailed images of proteins and tertiary structure elements: ab initio quality electron density calculations for bovine insulin

Evaluation of the field-adapted ADMA approach : absolute and relative energies of crambin and derivatives

Fractional Simplex Designs for Interaction Screening in Complex Mixtures

Heuristic lipophilicity potential for computer-aided rational drug design: optimizations of screening functions and parameters

Semisimilarity of molecular bodies: Scaling-nesting similarity measures

A new chiral feature in α-helical domains of proteins

A conjecture on the change of electronic density of a molecule under an isotropic dilatation of the nuclear geometry

The concept of syntopy. A continuous extension of the symmetry concept for quasi-symmetric structures using fuzzy-set theory

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