Search Results - "Mezey, P. G" :: K.UTB vyhledávací portál | TBU Library Retrieval Portal

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

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

by Du, Qishi, Mezey, P. G., Chou, Kuo-Chen
Published in Journal of computational chemistry (15.04.2005)

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Journal Article

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

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

by Gironés, X., Carbó-Dorca, R., Mezey, P.G.
Published in Journal of molecular graphics & modelling (01.01.2001)

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Journal Article

Chirality Measures and Graph Representations

Chirality Measures and Graph Representations

by Mezey, P.G
Published in Computers & mathematics with applications (1987) (01.12.1997)

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Journal Article

Rules on the changes of approximate symmetry measures along reaction paths

Rules on the changes of approximate symmetry measures along reaction paths

by Mezey, P. G.
Published in Molecular physics (10.03.2006)

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Journal Article

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

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

by Mezey, Paul G., Zimpel, Zbigniew, Warburton, Peter, Walker, P. Duane, Irvine, Donald G., Huang, Xiag-Dong, Dixon, D. George, Greenberg, Bruce M.
Published in Environmental toxicology and chemistry (01.07.1998)

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Journal Article

Molecular Shape Analysis of a Maillard Reaction Intermediate

Molecular Shape Analysis of a Maillard Reaction Intermediate

by Jokic, A., Zimpel, Z., Huang, P. M., Mezey, P. G.
Published in SAR and QSAR in environmental research (01.01.2001)

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Journal Article

Fuzzy molecular fragments in drug research

Fuzzy molecular fragments in drug research

by Mezey, Paul G., Duane Walker, P.
Published in Drug discovery today (01.04.1997)

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Journal Article

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

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

by Szekeres, Zs, Mezey, P.G.
Published in Molecular physics (20.03.2005)

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Journal Article

Molecular electron density Lego approach to molecule building

Molecular electron density Lego approach to molecule building

by Walker, P. Duane, Mezey, Paul G
Published in Journal of the American Chemical Society (01.12.1993)

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Journal Article

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

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

by Mezey, P. G, Zimpel, Z, Warburton, P, Walker, P. D, Irvine, D. G, Dixon, D. G, Greenberg, B
Published in Journal of Chemical Information and Computer Sciences (23.05.1996)

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Journal Article

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

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

by ARTECA, G. A, MEZEY, P. G
Published in Journal of mathematical chemistry (01.12.1991)

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Journal Article

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

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

by Mezey, Paul G
Published in Journal of Chemical Information and Computer Sciences (01.03.1999)

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Journal Article

Experimental and theoretical investigation of the unusual substituent effect of the vinyl group

Experimental and theoretical investigation of the unusual substituent effect of the vinyl group

by Reynolds, W. F, Modro, T. A, Mezey, P. G, Skorupowa, E, Maron, A
Published in Canadian journal of chemistry (15.02.1980)

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Journal Article

The holographic electron density theorem and quantum similarity measures

The holographic electron density theorem and quantum similarity measures

by MEZEY, PAUL G.
Published in Molecular physics (20.01.1999)

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Journal Article

Iterated similarity sequences and shape ID numbers for molecules

Iterated similarity sequences and shape ID numbers for molecules

by Mezey, Paul G
Published in Journal of chemical information and computer sciences (01.03.1994)

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Journal Article Conference Proceeding

Heuristic lipophilicity potential for computer-aided rational drug design

Heuristic lipophilicity potential for computer-aided rational drug design

by Du, Q, Arteca, G A, Mezey, P G
Published in Journal of computer-aided molecular design (01.09.1997)

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Journal Article

The ground electronic state of silaethylene. An ab initio molecular orbital study of the lower electronic manifold

The ground electronic state of silaethylene. An ab initio molecular orbital study of the lower electronic manifold

by Strausz, O. P, Gammie, L, Theodorakoupoulos, G, Mezey, P. G, Csizmadia, I. G
Published in Journal of the American Chemical Society (01.03.1976)

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Journal Article

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

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

by Walker, P. Duane, Mezey, Paul G
Published in Canadian journal of chemistry (01.12.1994)

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Journal Article

Fractional Simplex Designs for Interaction Screening in Complex Mixtures

Fractional Simplex Designs for Interaction Screening in Complex Mixtures

by McConkey, Brendan J., Mezey, Paul G., Dixon, D. George, Greenberg, Bruce M.
Published in Biometrics (01.09.2000)

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Journal Article

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

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

by Du, Q, Mezey, P G
Published in Journal of computer-aided molecular design (01.09.1998)

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Journal Article

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