Mati M. Karelson: search on Z-Library

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1

Prediction of liquid viscosity for organic compounds by a quantitative structure–property relationship

Alan R. Katritzky, Ke Chen, Yilin Wang, Mati Karelson, Bono Lucic, Nenad Trinajstic, Takahiro Suzuki, Gerrit Schüürmann

Journal:

Journal of Physical Organic Chemistry

Year:

2000

Language:

english

File:

PDF, 69 KB

english, 2000

2

QSPR modeling of flash points: An update

Alan R. Katritzky, Iva B. Stoyanova-Slavova, Dimitar A. Dobchev, Mati Karelson

Journal:

Journal of Molecular Graphics and Modelling

Year:

2007

Language:

english

File:

PDF, 483 KB

english, 2007

3

Quantum-Chemical Descriptors in QSAR/QSPR Studies

Karelson, Mati, Lobanov, Victor S., Katritzky, Alan R.

Journal:

Chemical Reviews

Year:

1996

Language:

english

File:

PDF, 263 KB

english, 1996

4

QSPR Study of Critical Micelle Concentrations of Nonionic Surfactants

Katritzky, Alan R., Pacureanu, Liliana M., Slavov, Svetoslav H., Dobchev, Dimitar A., Karelson, Mati

Journal:

Industrial & Engineering Chemistry Research

Year:

2008

Language:

english

File:

PDF, 291 KB

english, 2008

5

Perspective on the Relationship between Melting Points and Chemical Structure

Katritzky, Alan R., Jain, Ritu, Lomaka, Andre, Petrukhin, Ruslan, Maran, Uko, Karelson, Mati

Journal:

Crystal Growth & Design

Year:

2001

Language:

english

File:

PDF, 64 KB

english, 2001

6

Prediction of Critical Micelle Concentration Using a Quantitative Structure−Property Relationship Approach. 1. Nonionic Surfactants

Huibers, Paul D. T., Lobanov, Victor S., Katritzky, Alan R., Shah, Dinesh O., Karelson, Mati

Journal:

Year:

1996

Language:

english

File:

PDF, 256 KB

english, 1996

7

Rapid QSPR model development technique for prediction of vapor pressure of organic compounds

Alan R. Katritzky, Svetoslav H. Slavov, Dimitar A. Dobchev, Mati Karelson

Journal:

Computers & Chemical Engineering

Year:

2007

Language:

english

File:

PDF, 688 KB

english, 2007

8

Aromaticity as a Quantitative Concept. 6. Aromaticity Variation with Molecular Environment

Katritzky, Alan R., Karelson, Mati, Wells, Adam P.

Journal:

Journal of Organic Chemistry

Year:

1996

Language:

english

File:

PDF, 151 KB

english, 1996

9

Aromaticity as a Quantitative Concept. 7. Aromaticity Reaffirmed as a Multidimensional Characteristic†

Katritzky, Alan R., Karelson, Mati, Sild, Sulev, Krygowski, T. Marek, Jug, Karl

Journal:

Journal of Organic Chemistry

Year:

1998

Language:

english

File:

PDF, 61 KB

english, 1998

10

Correlation of Boiling Points with Molecular Structure. 1. A Training Set of 298 Diverse Organics and a Test Set of 9 Simple Inorganics

Katritzky, Alan R., Mu, Lan, Lobanov, Victor S., Karelson, Mati

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 279 KB

english, 1996

11

Prediction of Gas Chromatographic Retention Times and Response Factors Using a General Qualitative Structure-Property Relationships Treatment

Katritzky, Alan R., Ignatchenko, Elena S., Barcock, Richard A., Lobanov, Victor S., Karelson, Mati.

Journal:

Analytical Chemistry

Year:

1994

Language:

english

File:

PDF, 1.10 MB

english, 1994

12

Geometry optimisation at the semiempirical self-consistent-reaction-field level using the AMPAC and MOPAC programs

Rzepa, Henry S., Yi, Man Yin, Karelson, Mati M., Zerner, Michael C.

Journal:

Journal of the Chemical Society Perkin Transactions 2

Year:

1991

Language:

english

File:

PDF, 331 KB

english, 1991

13

Rational design of a series of novel amphipathic cell-penetrating peptides

Regberg, Jakob, Srimanee, Artita, Erlandsson, Mikael, Sillard, Rannar, Dobchev, Dimitar A., Karelson, Mati, Langel, Ülo

Journal:

International Journal of Pharmaceutics

Year:

2014

Language:

english

File:

PDF, 800 KB

english, 2014

14

QSPR Modeling of Solubility of Polyaromatic Hydrocarbons and Fullerene in 1-Octanol and n -Heptane

Martin, Dana, Maran, Uko, Sild, Sulev, Karelson, Mati

Journal:

Journal of Physical Chemistry B

Year:

2007

Language:

english

File:

PDF, 82 KB

english, 2007

15

Electron impact mass spectrometric studies of 2-methyl, 2-phenyl, 2-(1-piperidyl), 2-(2/3/4-pyridyl), piperidino and pyrido[4,3-d]-pyrimidin-4-ones

Pentti Oksman, Kalevi Pihlaja, Ferenc Fülöp, Imre Huber, Gábor Bernáth, Mati Karelson, Antti Perkson

Journal:

Rapid Communications in Mass Spectrometry

Year:

1998

Language:

english

File:

PDF, 245 KB

english, 1998

16

A comparative AM1 and ab initio study of the intramolecular proton transfer in tautomeric organic compounds

Uko Maran, Mati Karelson, Alan R. Katritzky

Journal:

International Journal of Quantum Chemistry

Year:

1996

Language:

english

File:

PDF, 513 KB

english, 1996

17

Quantum chemical modelling of the effect of proline residues on peptide conformation

Katrin Sak, Mati Karelson, Jaak Järv

Journal:

International Journal of Quantum Chemistry

Year:

1998

Language:

english

File:

PDF, 138 KB

english, 1998

18

Theoretical study of aminoalkylation in the Mannich reaction of furan with methyleneimminium salt

Uko Maran, Alan R. Katritzky, Mati Karelson

Journal:

International Journal of Quantum Chemistry

Year:

1998

Language:

english

File:

PDF, 215 KB

english, 1998

19

A quantum-mechanical study of oxidized oligopyrroles

Tarmo Tamm, Jüri Tamm, Mati Karelson

Journal:

International Journal of Quantum Chemistry

Year:

1999

Language:

english

File:

PDF, 249 KB

english, 1999

20

A Comprehensive QSAR Treatment of the Genotoxicity of Heteroaromatic and Aromatic Amines

Uko Maran, Mati Karelson, Alan R. Katritzky

Journal:

Molecular Informatics

Year:

1999

Language:

english

File:

PDF, 122 KB

english, 1999

21

ChemInform Abstract: Correlation and Prediction of the Refractive Indices of Polymers by QSPR.

Alan R. Katritzky, Sulev Sild, Mati Karelson

Journal:

Year:

1999

File:

PDF, 24 KB

1999

22

ChemInform Abstract: QSRR Correlation of Free-Radical Polymerization Chain-Transfer Constants for Styrene.

Frederick Ignatz-Hoover, Ruslan Petrukhin, Mati Karelson, Alan R. Katritzky

Journal:

Year:

2001

File:

PDF, 25 KB

2001

23

ChemInform Abstract: Interpretation of Quantitative Structure—Property and —Activity Relationships.

Alan R. Katritzky, Ruslan Petrukhin, Douglas Tatham, Subhash Basak, Emilio Benfenati, Mati Karelson, Uko Maran

Journal:

Year:

2001

File:

PDF, 25 KB

2001

24

ChemInform Abstract: QSPR Analysis of Flash Points.

Alan R. Katritzky, Ruslan Petrukhin, Ritu Jain, Mati Karelson

Journal:

Year:

2002

File:

PDF, 24 KB

2002

25

ChemInform Abstract: QSPR Correlation of the Melting Point for Pyridinium Bromides, Potential Ionic Liquids.

Alan R. Katritzky, Andre Lomaka, Ruslan Petrukhin, Ritu Jain, Mati Karelson, Ann E. Visser, Robin D. Rogers

Journal:

Year:

2002

File:

PDF, 25 KB

2002

26

ChemInform Abstract: Correlation of the Melting Points of Potential Ionic Liquids (Imidazolium Bromides and Benzimidazolium Bromides) Using the CODESSA Program.

Alan R. Katritzky, Ritu Jain, Andre Lomaka, Ruslan Petrukhin, Mati Karelson, Ann E. Visser, Robin D. Rogers

Journal:

Year:

2002

File:

PDF, 25 KB

2002

27

ChemInform Abstract: A General QSPR Treatment for Dielectric Constants of Organic Compounds.

Sulev Sild, Mati Karelson

Journal:

Year:

2002

File:

PDF, 24 KB

2002

28

The Present Utility and Future Potential for Medicinal Chemistry of QSAR/QSPR with Whole Molecule Descriptors

Alan R. Katritzky, Dan C. Fara, Ruslan O. Petrukhin, Douglas B. Tatham, Uko Maran, Andre Lomaka, Mati Karelson

Journal:

Year:

2003

File:

PDF, 54 KB

2003

29

Theoretical Treatment of Solvent Effects on Electronic and Vibrational Spectra of Compounds in Condensed Media

Journal:

Year:

2003

File:

PDF, 54 KB

2003

30

A Comprehensive Docking Study on the Selectivity of Binding of Aromatic Compounds to Proteins.

Csaba Hetenyi, Uko Maran, Mati Karelson

Journal:

Year:

2003

File:

PDF, 51 KB

2003

31

Quantitative Measures of Solvent Polarity

Alan R. Katritzky, Dan C. Fara, Hongfang Yang, Kaido Taemm, Tarmo Tamm, Mati Karelson

Journal:

Year:

2004

File:

PDF, 50 KB

2004

32

Quantitative Structure—Property Relationship Modeling of β-Cyclodextrin Complexation Free Energies.

Alan R. Katritzky, Dan C. Fara, Hongfang Yang, Mati Karelson, Takahiro Suzuki, Vitaly P. Solov'ev, Alexandre Varnek

Journal:

Year:

2004

File:

PDF, 55 KB

2004

33

QSPR Treatment of the Soil Sorption Coefficients of Organic Pollutants.

Iiris Kahn, Dan Fara, Mati Karelson, Uko Maran, Patrik L. Andersson

Journal:

Year:

2005

File:

PDF, 8 KB

2005

34

ChemInform Abstract: Quantitative Correlation of Physical and Chemical Properties with Chemical Structure: Utility for Prediction

Alan R. Katritzky, Minati Kuanar, Svetoslav Slavov, C. Dennis Hall, Mati Karelson, Iiris Kahn, Dimitar A. Dobchev

Journal:

Year:

2011

File:

PDF, 18 KB

2011

35

Reconsideration of solvent effects calculated by semiempirical quantum chemical methods

Miroslaw Szafran, Mati M. Karelson, Alan R. Katritzky, Jacek Koput, Michael C. Zerner

Journal:

Journal of Computational Chemistry

Year:

1993

Language:

english

File:

PDF, 621 KB

english, 1993

36

Modeling of the Amino Acid Side Chain Effects on Peptide Conformation

Katrin Sak, Mati Karelson, Jaak Järv

Journal:

Bioorganic Chemistry

Year:

1999

Language:

english

File:

PDF, 76 KB

english, 1999

37

A comparative semi-empirical study of pyrrole and phosphole oligomers

Mati Karelson, Michael C. Zerner

Journal:

Chemical Physics Letters

Year:

1994

Language:

english

File:

PDF, 315 KB

english, 1994

38

QSPR of 3-aryloxazolidin-2-one antibacterials

Alan R. Katritzky, Dan C. Fara, Mati Karelson

Journal:

Bioorganic & Medicinal Chemistry

Year:

2004

Language:

english

File:

PDF, 301 KB

english, 2004

39

QSPR treatment of rat blood:air, saline:air and olive oil:air partition coefficients using theoretical molecular descriptors

Alan R. Katritzky, Minati Kuanar, Dan C. Fara, Mati Karelson, William E. Acree Jr.

Journal:

Bioorganic & Medicinal Chemistry

Year:

2004

Language:

english

File:

PDF, 365 KB

english, 2004

40

QSAR treatment of drugs transfer into human breast milk

Alan R. Katritzky, Dimitar A. Dobchev, Evrim Hür, Dan C. Fara, Mati Karelson

Journal:

Bioorganic & Medicinal Chemistry

Year:

2005

Language:

english

File:

PDF, 207 KB

english, 2005

41

QSAR studies on 1-phenylbenzimidazoles as inhibitors of the platelet-derived growth factor

Alan R. Katritzky, Dimitar A. Dobchev, Dan C. Fara, Mati Karelson

Journal:

Bioorganic & Medicinal Chemistry

Year:

2005

Language:

english

File:

PDF, 243 KB

english, 2005

42

QSAR modeling of blood:air and tissue:air partition coefficients using theoretical descriptors

Alan R. Katritzky, Minati Kuanar, Dan C. Fara, Mati Karelson, William E. Acree Jr., Vitaly P. Solov’ev, Alexandre Varnek

Journal:

Bioorganic & Medicinal Chemistry

Year:

2005

Language:

english

File:

PDF, 403 KB

english, 2005

43

Antimalarial activity: A QSAR modeling using CODESSA PRO software

Alan R. Katritzky, Oleksandr V. Kulshyn, Iva Stoyanova-Slavova, Dimitar A. Dobchev, Minati Kuanar, Dan C. Fara, Mati Karelson

Journal:

Bioorganic & Medicinal Chemistry

Year:

2006

Language:

english

File:

PDF, 395 KB

english, 2006

44

Correlation of blood–brain penetration using structural descriptors

Alan R. Katritzky, Minati Kuanar, Svetoslav Slavov, Dimitar A. Dobchev, Dan C. Fara, Mati Karelson, William E. Acree Jr., Vitaly P. Solov’ev, Alexandre Varnek

Journal:

Bioorganic & Medicinal Chemistry

Year:

2006

Language:

english

File:

PDF, 648 KB

english, 2006

45

QSAR modeling of the inhibition of Glycogen Synthase Kinase-3

Alan R. Katritzky, Liliana M. Pacureanu, Dimitar A. Dobchev, Dan C. Fara, Pablo R. Duchowicz, Mati Karelson

Journal:

Bioorganic & Medicinal Chemistry

Year:

2006

Language:

english

File:

PDF, 298 KB

english, 2006

46

M. O. calculations applicable to condensed phases: The combination of self-consistent reaction field theory with semi-empirical quantum-chemical methods

Mati M. Karelson, Thomas Tamm, Alan R. Katritzky, Stephen J. Cato, Michael C. Zerner

Journal:

Tetrahedron Computer Methodology

Year:

1989

Language:

english

File:

PDF, 598 KB

english, 1989

47

Electron impact ionization mass spectrometry and intramolecular cyclization in 2-substituted pyrimidin-4(3H)-ones

Pentti Oksman, Géza Stájer, Kalevi Pihlaja, Mati Karelson

Journal:

Journal of the American Society for Mass Spectrometry

Year:

1994

Language:

english

File:

PDF, 627 KB

english, 1994

48

QSAR modeling of anti-invasive activity of organic compounds using structural descriptors

Alan R. Katritzky, Minati Kuanar, Dimitar A. Dobchev, Barbara W.A. Vanhoecke, Mati Karelson, Virinder S. Parmar, Christian V. Stevens, Marc E. Bracke

Journal:

Bioorganic & Medicinal Chemistry

Year:

2006

Language:

english

File:

PDF, 151 KB

english, 2006

49

QSAR study of antiplatelet agents

Alan R. Katritzky, Liliana M. Pacureanu, Svetoslav Slavov, Dimitar A. Dobchev, Mati Karelson

Journal:

Bioorganic & Medicinal Chemistry

Year:

2006

Language:

english

File:

PDF, 649 KB

english, 2006

50

QSAR modeling of the antifungal activity against Candida albicans for a diverse set of organic compounds

Alan R. Katritzky, Svetoslav H. Slavov, Dimitar A. Dobchev, Mati Karelson

Journal:

Bioorganic & Medicinal Chemistry

Year:

2008

Language:

english

File:

PDF, 416 KB

english, 2008