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1

Estimation of Blood-Brain Barrier Crossing of Drugs Using Molecular Size and Shape, and H-Bonding Descriptors

Chretien, Jacques R., Raevsky, Oleg A., van de Waterbeemd, Han, Camenisch, Gian, Folkers, Gerd

Journal:

Journal of Drug Targeting

Year:

1998

Language:

english

File:

PDF, 1.08 MB

english, 1998

2

Steric and Stereoelectronic Effects in Aza Crown Ether Complexes[1]

Vitally P. Solov'ev, Nadezhda N. Strakhova, Vladimir P. Kazachenko, Alexandr F. Solotnov, Vladimir E. Baulin, Oleg A. Raevsky, Volker Rüdiger, Frank Eblinger, Hans-Jörg Schneider

Journal:

European Journal of Organic Chemistry

Year:

1998

Language:

english

File:

PDF, 437 KB

english, 1998

3

pH-Dependent Partitioning of Acidic and Basic Drugs into Liposomes—A Quantitative Structure-Activity Relationship Analysis

Klaus-J. Schaper, Huabei Zhang, Oleg A. Raevsky

Journal:

Molecular Informatics

Year:

2001

Language:

english

File:

PDF, 99 KB

english, 2001

4

A Novel Approach for Prediction of Intestinal Absorption of Drugs in Humans based on Hydrogen Bond Descriptors and Structural Similarity

Oleg A. Raevsky, Klaus-J. Schaper, Per Artursson, James W. McFarland

Journal:

Molecular Informatics

Year:

2001

Language:

english

File:

PDF, 178 KB

english, 2001

5

Molecular structure descriptors in the computer-aided design of biologically active compounds

Raevsky, Oleg A

Journal:

Russian Chemical Reviews

Year:

1999

Language:

english

File:

PDF, 306 KB

english, 1999

6

Crown Ether–Ammonium Complexes: Binding Mechanisms and Solvent Effects

Volker Rüdiger, Hans-Jörg Schneider, Vitally P. Solov'ev, Vladimir P. Kazachenko, Oleg A. Raevsky

Journal:

European Journal of Organic Chemistry

Year:

1999

Language:

english

File:

PDF, 380 KB

english, 1999

7

A Comprehensive Investigation of the Partitioning and Hydrogen Bonding Behavior of Indole Containing Derivatives of 1,3,4-Thiadiazole and 1,2,4-Triazole by means of Experimental and Calculative Approaches

Anna Tsantili-Kakoulidou, Athanasia Varvaresou, Theodora Siatra-Papastaikoudi, Oleg A. Raevsky

Journal:

Molecular Informatics

Year:

1999

Language:

english

File:

PDF, 138 KB

english, 1999

8

Quantitative Estimation of Drug Absorption in Humans for Passively Transported Compounds on the Basis of Their Physico-chemical Parameters

Oleg A. Raevsky, Valery I. Fetisov, Ellen P. Trepalina, James W. McFarland, Klaus-J. Schaper

Journal:

Molecular Informatics

Year:

2000

Language:

english

File:

PDF, 102 KB

english, 2000

9

ChemInform Abstract: Estimating the Water Solubilities of Crystalline Compounds from Their Chemical Structures Alone.

James W. McFarland, Alex Avdeef, Cynthia M. Berger, Oleg A. Raevsky

Journal:

Year:

2001

File:

PDF, 25 KB

2001

10

Thermodynamic and structural aspects of sulfonamide crystals and solutions

German L. Perlovich, Valery V. Tkachev, Nadezda N. Strakhova, Vladimir P. Kazachenko, Tatyana V. Volkova, Oleg V. Surov, Klaus-Jürgen Schaper, Oleg A. Raevsky

Journal:

Journal of Pharmaceutical Sciences

Year:

2009

Language:

english

File:

PDF, 598 KB

english, 2009

11

Studying thermodynamic aspects of sublimation, solubility and solvation processes and crystal structure analysis of some sulfonamides

German L. Perlovich, Nadezda N. Strakhova, Vladimir P. Kazachenko, Tatyana V. Volkova, Valery V. Tkachev, Klaus-Jürgen Schaper, Oleg A. Raevsky

Journal:

International Journal of Pharmaceutics

Year:

2007

Language:

english

File:

PDF, 537 KB

english, 2007

12

Sulfonamides as a subject to study molecular interactions in crystals and solutions: Sublimation, solubility, solvation, distribution and crystal structure

German L. Perlovich, Nadezda N. Strakhova, Vladimir P. Kazachenko, Tatyana V. Volkova, Valery V. Tkachev, Klaus-Jurgen Schaper, Oleg A. Raevsky

Journal:

International Journal of Pharmaceutics

Year:

2008

Language:

english

File:

PDF, 1.51 MB

english, 2008

13

Thermodynamic aspects of solubility, solvation and partitioning processes of some sulfonamides

German L. Perlovich, Alex M. Ryzhakov, Nadezda N. Strakhova, Vladimir P. Kazachenko, Klaus-Jürgen Schaper, Oleg A. Raevsky

Journal:

The Journal of Chemical Thermodynamics

Year:

2011

Language:

english

File:

PDF, 440 KB

english, 2011

14

Thermodynamic aspects of solubility process of some sulfonamides

German L. Perlovich, Alex M. Ryzhakov, Nadezda N. Strakhova, Vladimir P. Kazachenko, Klaus-Jürgen Schaper, Oleg A. Raevsky

Journal:

Journal of Pharmaceutical and Biomedical Analysis

Year:

2011

Language:

english

File:

PDF, 186 KB

english, 2011

15

Estimation of Caco-2 Cell Permeability using Calculated Molecular Descriptors

Han van De Waterbeemd, Gian Camenisch, Gerd Folkers, Oleg A. Raevsky

Journal:

Molecular Informatics

Year:

1996

Language:

english

File:

PDF, 882 KB

english, 1996

16

Analysis of water solubility data on the basis of HYBOT descriptors : Part 2. Solubility of liquid chemicals and drugs

Klaus-J. Schaper, Brigitte Kunz, Oleg A. Raevsky

Journal:

Molecular Informatics

Year:

2003

Language:

english

File:

PDF, 224 KB

english, 2003

17

Analysis of water solubility data on the basis of HYBOT descriptors. : Part 1. Partitioning of volatile chemicals in the water-gas phase system

Oleg A. Raevsky, Klaus-J. Schaper

Journal:

Molecular Informatics

Year:

2003

Language:

english

File:

PDF, 162 KB

english, 2003

18

Analysis of Water Solubility Data on the Basis of HYBOT Descriptors. Part 3. Solubility of Solid Neutral Chemicals and Drugs

Oleg A. Raevsky, Olga E. Raevskaja, Klaus-Jürgen Schaper

Journal:

Molecular Informatics

Year:

2004

Language:

english

File:

PDF, 508 KB

english, 2004

19

Unified Physicochemical QSPR Model of the Partitioning and Solubility of Chemicals in the Triple System “Water–Octanol–Air”

Oleg A. Raevsky, Klaus-J. Schaper

Journal:

Molecular Informatics

Year:

2008

Language:

english

File:

PDF, 329 KB

english, 2008

20

Physicochemical Properties/Descriptors Governing the Solubility and Partitioning of Chemicals in Water–Solvent–Gas Systems. Vapor Pressure and Concentration of Chemicals Above Saturated Aqueous Solutions

Oleg A. Raevsky, Olga E. Raevskaja, Klaus-J. Schaper

Journal:

Molecular Informatics

Year:

2007

Language:

english

File:

PDF, 155 KB

english, 2007

21

Classification and Quantification of the Toxicity of Chemicals to Guppy, Fathead Minnow and Rainbow Trout: Part 1. Nonpolar Narcosis Mode of Action

Oleg A. Raevsky, Veniamin Yu. Grigor'ev, Eric E. Weber, John C. Dearden

Journal:

Molecular Informatics

Year:

2008

Language:

english

File:

PDF, 236 KB

english, 2008

22

Classification and Quantification of the Toxicity of Chemicals to Guppy, Fathead Minnow, and Rainbow Trout. Part 2. Polar Narcosis Mode of Action

Oleg A. Raevsky, Veniamin Yu. Grigor'ev, John C. Dearden, Eric E. Weber

Journal:

Molecular Informatics

Year:

2009

Language:

english

File:

PDF, 310 KB

english, 2009

23

Quantitative estimation of hydrogen bond contribution to permeability and absorption processes of some chemicals and drugs

Oleg A. Raevsky, Klaus-Jürgen Schaper

Journal:

European Journal of Medicinal Chemistry

Year:

1998

Language:

english

File:

PDF, 881 KB

english, 1998

24

3D hydrogen bond thermodynamics (HYBOT) potentials in molecular modelling

Oleg A. Raevsky, Vladlen S. Skvortsov

Journal:

Journal of Computer-Aided Molecular Design

Year:

2002

Language:

english

File:

PDF, 116 KB

english, 2002

25

Complete Thermodynamic Description of H-Bonding in the Framework of Multiplicative Approach

Oleg A. Raevsky, Veniamin Yu. Grigor'ev, Dmitri B. Kireev, Nicolai S. Zefirov

Journal:

Molecular Informatics

Year:

1992

Language:

english

File:

PDF, 1.13 MB

english, 1992

26

H-Bond Contribution to Octanol-Water Partition Coefficients of Polar Compounds

Oleg A. Raevsky, Klaus-J. Schaper, Joachim K. Seydel

Journal:

Molecular Informatics

Year:

1995

Language:

english

File:

PDF, 343 KB

english, 1995

27

The QSAR Discriminant-Regression Model

Oleg Raevsky, Alexei Sapegin, Nikolai Zefirov

Journal:

Molecular Informatics

Year:

1994

Language:

english

File:

PDF, 592 KB

english, 1994

28

Octanol/Water Partition Coefficients of Sulfonamides: Experimental Determination and Calculation Using Physicochemical Descriptors

Raevsky, Oleg A., Perlovich, German L., Kazachenko, Vladimir P., Strakhova, Nadezda N., Schaper, Klaus-J.

Journal:

Journal of Chemical & Engineering Data

Year:

2009

Language:

english

File:

PDF, 63 KB

english, 2009

29

Sublimation of Molecular Crystals: Prediction of Sublimation Functions on the Basis of HYBOT Physicochemical Descriptors and Structural Clusterization

Perlovich, German L., Raevsky, Oleg A.

Journal:

Crystal Growth & Design

Year:

2010

Language:

english

File:

PDF, 1.51 MB

english, 2010

30

Sulfonamide Molecular Crystals: Structure, Sublimation Thermodynamic Characteristics, Molecular Packing, Hydrogen Bonds Networks

Perlovich, German L., Ryzhakov, Alex M., Tkachev, Valery V., Hansen, Lars Kr., Raevsky, Oleg A.

Journal:

Crystal Growth & Design

Year:

2013

Language:

english

File:

PDF, 3.94 MB

english, 2013

31

Solvent Effects on Crown Ether Complexations 1

Solov'ev, Vitally P., Strakhova, Nadezhda N., Raevsky, Oleg A., Rüdiger, Volker, Schneider, Hans-Jörg

Journal:

Journal of Organic Chemistry

Year:

1996

Language:

english

File:

PDF, 239 KB

english, 1996

32

Thermodynamic aspects of solubility and partitioning processes of some sulfonamides in the solvents modeling biological media

Perlovich, German L., Ryzhakov, Alex M., Strakhova, Nadezda N., Kazachenko, Vladimir P., Schaper, Klaus-Jürgen, Raevsky, Oleg A.

Journal:

The Journal of Chemical Thermodynamics

Year:

2014

Language:

english

File:

PDF, 1001 KB

english, 2014

33

Calculation of Aqueous Solubility of Crystalline Un-Ionized Organic Chemicals and Drugs Based on Structural Similarity and Physicochemical Descriptors

Raevsky, Oleg A., Grigor’ev, Veniamin Yu., Polianczyk, Daniel E., Raevskaja, Olga E., Dearden, John C.

Journal:

Journal of Chemical Information and Modeling

Year:

2014

Language:

english

File:

PDF, 1.24 MB

english, 2014

34

Solubility and Transfer Processes of Some Hydrazones in Biologically Relevant Solvents

Perlovich, German L., Kazachenko, Vladimir P., Strakhova, Nadezda N., Schaper, Klaus-J., Raevsky, Oleg A.

Journal:

Journal of Chemical & Engineering Data

Year:

2013

Language:

english

File:

PDF, 758 KB

english, 2013

35

Saarbruecken series on supramolecular chemistry. 36. The incremental description of host-guest complexes: free energy increments derived from hydrogen bonds applied to crown ethers and cryptands

Schneider, Hans Joerg, Ruediger, Volker, Raevsky, Oleg A.

Journal:

Journal of Organic Chemistry

Year:

1993

Language:

english

File:

PDF, 1.29 MB

english, 1993

36

Impact of Sulfonamide Structure on Solubility and Transfer Processes in Biologically Relevant Solvents

Perlovich, German L., Kazachenko, Vladimir P., Strakhova, Nadezda N., Raevsky, Oleg A.

Journal:

Journal of Chemical & Engineering Data

Year:

2014

Language:

english

File:

PDF, 671 KB

english, 2014

37

Preface

Zefirov, Nikolay, Poroikov, Vladimir, Raevsky, Oleg

Journal:

SAR and QSAR in Environmental Research

Year:

2001

Language:

english

File:

PDF, 121 KB

english, 2001

38

Conformation of 18-Crown-5 and Its Influence on Complexation with Alkali and Ammonium Cations: Why 18-Crown-5 Binds More Than 1000 Times Weaker Than 18C6

Raevsky, Oleg A., Solov'ev, Vitally P., Solotnov, Alexander F., Schneider, Hans-Jörg, Rüdiger, Volker

Journal:

Journal of Organic Chemistry

Year:

1996

Language:

english

File:

PDF, 162 KB

english, 1996

39

Physicochemical Descriptors in Property-Based Drug Design

Journal:

Mini Reviews in Medicinal Chemistry

Year:

2004

Language:

english

File:

PDF, 188 KB

english, 2004

40

Physicochemical property profile for brain permeability: comparative study by different approaches

Raevsky, Oleg A., Grigorev, Veniamin Y., Polianczyk, Daniel E., Sandakov, German I., Solodova, Svetlana L., Yarkov, Alexander V., Bachurin, Sergey O., Dearden, John C.

Journal:

Journal of Drug Targeting

Year:

2016

Language:

english

File:

PDF, 899 KB

english, 2016

41

CNS Multiparameter Optimization Approach: Is it in Accordance with Occam’s Razor Principle?

Raevsky, Oleg A.

Journal:

Molecular Informatics

Year:

2016

Language:

english

File:

PDF, 409 KB

english, 2016

42

In silico Prediction of Aqueous Solubility: a Comparative Study of Local and Global Predictive Models

Raevsky, Oleg A., Polianczyk, Daniel E., Grigorev, Veniamin Yu., Raevskaja, Olga E., Dearden, John C.

Journal:

Molecular Informatics

Year:

2015

Language:

english

File:

PDF, 1.33 MB

english, 2015

43

On the mechanism of substrate/non-substrate recognition by P-glycoprotein

Mukhametov, Azat, Raevsky, Oleg A.

Journal:

Journal of Molecular Graphics and Modelling

Year:

2017

Language:

english

File:

PDF, 524 KB

english, 2017

44

[AIP The first European conference on computational chemistry (E.C.C.C.1) - Nancy (France) (May 1994)] AIP Conference Proceedings - The molecular modeling and QSAR study of anti-HIV-1 2-heteroaryl-quinoline-4-amines

Kireev, Dmitri B., Chrétien, Jacques R., Raevski, Oleg A.

Year:

1995

Language:

english

File:

PDF, 65 KB

english, 1995

45

Classification (Agonist/Antagonist) and Regression “Structure-Activity” Models of Drug Interaction with 5-HT6

Raevsky, Oleg A., Grigorev, Veniamin Y., Yarkov, Alexander V., Polianczyk, Daniel E., Tarasov, Vadim V., Bovina, Elena V., Bryzhakina, Elena N., Dearden, John C., Avila-Rodriguez, Marco, Aliev, Gjumra

Journal:

Central Nervous System Agents in Medicinal Chemistry(Formerly Current Medicinal Chemistry - Central Nervous System Agents)

Year:

2018

Language:

english

File:

PDF, 2.16 MB

english, 2018

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