100.
Ferreira M. M. C., Kiralj R., "CHEMOMETRIC INVESTIGATIONS OF MULTIDRUG RESISTANCE IN STRAINS OF THE PHYTOPATHOGENIC FUNGUS PENICILLIUM DIGITATUM". Moscow, Russia, 01-05/09/2007: Fourth International Symposium on Computational Methods in Toxicology and Pharmacology Integrating Internet Resources, Book of Abstracts (2007) 67. Oral OC-22.

101.
Ferreira M. M. C., Pereira M. C. S., Kiralj R., "COMPUTATIONAL STUDY OF ARTEMISININ INTERACTION WITH HEME AND ITS POSTERIOR DECOMPOSITION".  Moscow, Russia, 01-05/09/2007: Fourth International Symposium on Computational Methods in Toxicology and Pharmacology Integrating Internet Resources, Book of Abstracts (2007) 95. Poster PO-25.

Here below ais a simplified version of the conference home page which can be found at: http://www.ivtn.ru/cmtpi-2007/index.php


Organizers

# Federal Agency of Science and Innovation
# Russian Academy of Sciences (RAS)
# Russian Academy of Medical Sciences (RAMS)
# Russian Section of the QSAR and Modelling Society
# Institute of Biomedical Chemistry of RAMS
# Institute of Physiologically Active Compounds of RAS
# NC Group/NVK “VIST”
# Reisebuero WELT


Organizing Committees

International Scientific Advisory Board and Organizing Committees cordially invite you to take part in the Fourth International Symposium on Computational Methods in Toxicology and Pharmacology Integrating Internet Resources [CMTPI-2007]. The meeting will be held in Moscow, Russia from September 1th to 5th 2007.

Co-Chairmen

Nikolai Zefirov, Full Member of Russian Academy of Sciences
Alexander Archakov, Full Member of Russian Academy of Medical Sciences

Local Organizing Committee

Chairman
Vladimir Poroikov (Institute of Biomedical Chemistry of RAMS, Russia)

Co-Chairman
Oleg Mikheev (NC Group/NVK “VIST”)

Secretary
Paulina Gabusu (NC Group/NVK “VIST”)

Members
E. Beyer (Institute of Biomedical Chemistry of RAMS, Russia)
T. Fedoronchuk (Institute of Biomedical Chemistry of RAMS, Russia)
A. Kabankin (Center of Theoretical Problems of Physical-Chemical Pharmacology of RAS, Russia)
A. Lagunin (Institute of Biomedical Chemistry of RAMS, Russia )
A. Lisitsa (Institute of Biomedical Chemistry of RAMS, Russia )
S. Novikov (Institute of Human Ecology and Hygiene of Environment of RAMS, Russia)
N. Pshenichnikova (NC Group/NVK “VIST”)
V. Palyulin (Moscow State University , Russia)
E. Shilova (National Research Center for Biologically Active Compounds, Russia)

International Organizing Committee

A. Carpy (University of Bordeaux I, France)
J. Devillers (CTIS, France)
Bo Tao Fan
A. Geronikaki (Aristotelian University of Thessaloniki , Greece)

International Scientific Advisory Board

S. Basak (University of Minnesota , USA)
H. Chuman (University of Tokushima , Japan)
A. Kel (Biologische Datenbanken GmbH, Germany)
D. Livingstone (Chemquest , UK)
K.T. No (BMDRC, Yonsei University , Korea)
M. Nicklaus (National Cancer Institute, NIH , USA)
O. Raevsky (Institute of Physiologically Active Compounds of RAS, Russia)
A. Richard (Environmental Protection Agency , USA)
A. Saxena (Central Drug Research Institute, India)
A. Tropsha (University of North Carolina in Chapel Hill, USA)
A. Worth (EC Joint Research Center , Italy)
J. Yao (Shanghai Institute of Organic Chemistry , China)


Scientific Topics

Following the traditions of CMPTI-2001 (Bordeaux , France), CMTPI-2003 (Thessaloniki , Greece) and CMTPI-2005 (Shanghai , China), CMTPI-2007 will provide an International forum for presentation and discussion, by both highly skilled professionals and young scientists, of recent progress and future trends in all aspects of Computational Methods in Toxicology and Pharmacology including the Internet resources. The Symposium will feature plenary lectures, oral talks and posters broadly covering the following fields:

    * (Q)SAR, QSPR and Molecular Modelling in Drug Discovery
    * (Q)SAR and QSPR Modelling in Environmental Chemistry
    * “OMIC”-sciences and bioinformatics applications in pharmacology and toxicology
    * Commercial and non-commercial computational tools and databases in the Internet for computational pharmacology and toxicology

Program
 

01.09.2007

12:00 - 18:00  Registration
18:00 - 18:40  Opening Ceremony
18:40 - 19:00  To the memory of Prof. Bo Tao Fan
19:00 - 19:45  Plenary lecture
Ann Richard. National Center for Computational Toxicology, NC, USA. NEW PUBLIC DATA & INTERNET RESOURCES IMPACTING PREDICTIVE TOXICOLOGY
20:00 - 22:00  Welcome Party

02.09.2007

Internet Tools & Databases (I)
Chairs: Alexander Kel and Alexander Tropsha
09:00 - 09:40  Plenary Lecture
Marc Nicklaus. National Cancer Institute, National Institute of Health, DHHS. NCI-Frederick , USA. INTERNET RESOURCES INTEGRATING MANY SMALL-MOLECULE DATABASES
 09:40 - 10:00  Major Talk
Wolf-Dietrich Ihlenfeldt. Xemistry GmbH, Germany. A VIRTUAL FILE SYSTEM FOR THE PUBCHEM CHEMICAL STRUCTURE AND BIOASSAY DATABASE
10:00 - 10:20  Major Talk
Andrey Lisitsa. Institute of Biomedical Chemistry of Rus. Acad. Med. Sci., Moscow, Russia. CYTOCHROME P450 KNOWLEDGEBASE FOR DRUG DISCOVERY
10:20 - 10:40  Major Talk
Alexander Kos. AKos GmbH, Steinen, Germany. WORKFLOW ENVIRONMENT FOR ESTIMATING BIOLOGICAL EFFECTS
10:40 - 11:10  Coffee Break

Internet Tools & Databases (II)
Chairs: Roman Efremov and Marc Nicklaus
11:10 - 11:30  Major Talk
Anil Saxena. Central Drug Research Institute (CDRI), Lucknow, India. INTERNET RESOURCES IN GPCR MODELLING
11:30 - 11:50  Major Talk
 Athina Geronikaki. Aristotle University of Thessaloniki, Thessaloniki, Greece. PREDICTION OF BIOLOGICAL ACTIVITY VIA INTERNET. MEDICINAL CHEMIST'S POINT OF VIEW
11:50 - 12:05  Oral Communication
Greg Pearl. ACD/Labs, Toronto, Ontario, Canada. EFFECT OF DESCRIPTOR SELECTION: COMPARING LOGD TO LOGP IN DRUG-LIKENESS PROFILING
12:05 - 12:20  Oral Communication
Alexey Lagunin. Institute of Biomedical Chemistry of Rus. Acad. Med. Sci., Moscow, Russia. PHARMAEXPERT: ESTIMATING DRUG-DRUG INTERACTIONS AND FINDING COMPOUNDS WITH MULTIPLE MECHANISMS OF ACTION
12:20 - 12:35  Oral Communication
Russel Naven. Lhasa Limited, Leeds, UK. IMPROVING THE PREDICTIVE PERFORMANCE OF AROMATIC AMINE MUTAGENICITY IN DEREK FOR WINDOWS THROUGH THE ANALYSIS OF PROPRIETARY DATA
12:35 - 14:30  Lunch
15:00 - 19:00  Sightseeing Tour

03.09.2007

"OMIC"-Sciences and Bioinformatics (I)
Chairs: Johann Gasteiger and Andrey Lisitsa
09:00 - 09:40  Plenary Lecture
Alexander Kel. BIOBASE GmbH, Wolfenbuttel, Germany. EXPLAIN™: FINDING MOLECULAR MECHANISM OF DISEASE FROM PROMOTER MODELS TO SIGNALING PATHWAYS
09:40 - 10:00  Major Talk
Ivan Rusyn. Department of Environmental Sciences and Engineering; University of North Carolina at Chapel Hill, USA. BRIDGING INVESTIGATIVE TOXICOLOGY AND DISEASE-ORIENTED RESEARCH BY BUILDING A MOUSE-TO-HUMAN PARADIGM
10:00 - 10:20  Major Talk
Razif Gabdoulline. EML Research GmbH, Molecular and Cellular Modeling Group, Heidelberg, Germany. ENZYME KINETIC PARAMETER ESTIMATION IN SYSTEMS BIOLOGY USING PROTEIN STRUCTURES
10:20 - 10:35  Oral Communication
Hanjun Zou. Intertek Consumer Goods North & East China, Shanghai, China. MOLECULAR INSIGHT INTO THE INTERACTION BETWEEN IFABP AND PA BY USING MM-PBSA AND ALANINE SCANNING METHODS
10:35 - 10:50  Oral Communication
Sergey Moshkovskii. Institute of Biomedical Chemistry of Rus. Acad. Med. Sci., Moscow, Russia. ANALYSIS OF PEAK INTENSITY CORRELATIONS TO MAXIMIZE BIOLOGICAL MEANING OF PROTEOME DIAGNOSTIC MASS-SPECTRA
10:50 - 11:20  Coffee Break

"OMIC"-Sciences and Bioinformatics (II)
Chairs: Izet Kapetanovic and Greg Pearl
11:20 - 12:00  Plenary Lecture
Johann Gasteiger. Computer-Chemie-Centrum and Institute of Organic Chemistry, University of Erlangen-Nuremberg, Molecular Networks GmbH, Erlangen, Germany. EXPLORATION INTO BIOCHEMICAL PATHWAYS
11:55 - 12:15  Major Talk
Milan Randic. National Institute of Chemistry, Ljubljana, Slovenia. ON GRAPHICAL REPRESENTATION OF PROTEINS AND PROTEIN ALIGNMENT
12:15 - 12:30  Oral Communication
Adel Golovin. EMBL-EBI, Hinxton Hall, Genome Campus, Cambridge, UK. A DATABASE SEARCH AND RETRIEVAL SYSTEM FOR THE ANALYSIS AND VIEWING OF BOUND LIGANDS, ACTIVE SITES, SEQUENCE MOTIFS AND 3D STRUCTURAL MOTIFS
12:30 - 12:45  Oral Communication
Carlos da Silva. School of Pharmaceutical Sciences of Ribeirao Preto, University of Sao Paulo, Ribeirao Preto - SP, Brazil. HOMOLOGY MODELING AND COMPUTER-AIDED DESIGN OF HNRNP K MARKER AND LIGANDS IN HEAD AND NECK CANCER
12:45 - 14:00  Lunch

QSAR and Environmental Toxicity (I)
Chairs: James Devillers and Ann Richard
14:00 - 14:40  Plenary Lecture
Kyoung Tai No. Bioinformatics and Molecular Design Research Center, Seoul, Korea. PREDICTION OF ENVIRONMENTAL TOXICITIES
14:40 - 15:00  Major Talk
Jacques Chretien. BioChemics Consulting SAS, Orleans, France. NEW IN SILICO STRATEGIES FOR A SSESSING ENVIRONMENTAL CHEMISTRY AND REACH CHALLENGES
15:00 - 15:20  Major Talk
Daniel Zuaboni. MerckSerono Geneva Research Center, University of Lausanne, Geneva, Switzerland. CONSENSUS MODELS AND META-MODELS FOR THE PREDICTION OF LOGP USING NEURAL NETWORKS
15:20 - 15:35  Oral Communication
Yuriy Abramov. Pfizer Global Research and Development, Groton, USA. REACTIVE METABOLISM – QSAR AND QUANTUM CHEMISTRY MODELING
15:35 - 15:50  Oral Communication  Mariana Novic. National Institute of Chemistry, Ljubljana, Slovenia. MODELLING, OPTIMIZATION, AND VARIABLES SELECTION IN QSA(P)R STUDIES. THE ROLE OF COUNTER-PROPAGATION NEURAL NETWORK
15:50 - 16:20  Coffee Break
16:20 - 18:20  Poster Session
 

04.09.2007

QSAR and Environmental Toxicity (II)
Chairs: Jacques Chretien and Kyoung Tai No
09:00 - 09:40  Plenary Lecture
James Devillers. CTIS, Rillieux La Pape, France. STRUCTURE-ACTIVITY MODELING OF A DIVERSE SET OF ANDROGEN RECEPTOR LIGANDS
09:40 - 10:00  Major Talk
Paola Gramatica. QSAR Research Unit in Environmental Chemistry and Ecotoxicology, Department of Structural and Functional Biology, University of Insubria, Varese, Italy. IN SILICO SCREENING OF ESTROGEN-LIKE CHEMICALS BASED ON QSAR MODELS
10:00 - 10:20  Major Talk
Nathalie Marchand-Geneste. University of Bordeaux, Talence, France. e-ENDOCRINE DISRUPTING CHEMICAL DATABASES FOR DERIVING QSAR MODELS
10:20 - 10:35  Oral Communication
Natalja Fjodorova. Laboratory of Chemometrics, National Institute of Chemistry, Ljubljana, Slovenia. QSAR MODELLING OF CARCINOGENICITY FOR REGULATOTY USE IN EUROPE
10:35 - 10:50  Oral Communication
Vyacheslav Nikolaev. Arbuzov Institute of Organic and Physical Chemistry, Russian Academy of Sciences, Russia. QUASICRYSTALLINITY OF A LIQUID STATE AS A BASIS FOR CREATING QSPR-MODELS AND DESCRIBING SYNERGIC EFFECTS IN BINARY SYSTEMS
10:50 - 11:20  Coffee Break

Computer-Aided Drug Discovery (I) Dedicated to the Memory of Martyn Ford
Chairs: Athina Geronikaki and Vladimir Poroikov
11:20 - 12:00  Plenary Lecture
David Livingstone. ChemQuest, Sandown, Centre for Molecular Design, University of Portsmouth, UK. QSAR STUDIES USING THE PARASHIFT SYSTEM
11:55 - 12:15  Major Talk
Florent Barbault. ITODYS, University Paris, France. CYCLIN DEPENDENT KINASE (CDK2/CDK4) SELECTIVITY ELUCIDATED BY MOLECULAR DYNAMICS AND QUANTUM CHEMISTRY STUDIES
12:15 - 12:30  Oral Communication
Peter Fedichev. Quantum Pharmaceuticals, Moscow, Russia. BIOLOGICAL SPECTRA ANALYSIS: LINKING BIOLOGICAL ACTIVITY PROFILES TO MOLECULAR TOXICITY
12:30 - 12:45  Oral Communication
Catia Teixeira. ITODYS, University Paris, France. 2D/3D QSAR AND MOLECULAR MODELLING STUDIES OF NEW CLASS OF HIV-1 GP41 INHIBITORS
12:45 - 14:00  Lunch

Computer-Aided Drug Discovery (II)
Chairs: Daniel Domine and Douglas Oliver
14:00 - 14:40  Plenary Lecture
Oleg Raevsky. Institute of Physiologically Active Compounds, Russian Academy of Sciences, Chernogolovka, Russia. HYDROGEN BONDING PARAMETRIZATION IN QSAR AND DRUG DESIGN
14:40 - 15:00  Major Talk
Hiroshi Chuman. Institute of Health Biosciences, The University of Tokushima, Japan. TOWARD BASIC UNDERSTANDING OF THE PARTITION COEFFICIENT LOG P AND ITS APPLICATIONS IN QSAR
15:00 - 15:20  Major Talk
Jianhua Yao. Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, China. NEW PREDICTION SYSTEM FOR MUTAGENICITY: CISOC-PSMT AND ITS APPLICATIONS
15:20 - 15:35  Oral Communication
Irene Kouskoumvekaki. Center for Biological Sequence Analysis, BioCentrum, Technical University of Denmark, Lyngby, Denmark. PREDICTION OF PH-DEPENDENT AQUEOUS SOLUBILITY OF DRUG-LIKE MOLECULES AND DRUG CANDIDATES WITH CHEMOINFORMATICS TOOLS
15:35 - 15:50  Oral Communication
Ilkay Yildiz. Ankara University, Faculty of Pharmacy, Department of Pharmaceutical Chemistry, Tandogan-Ankara, Turkey. THREE-DIMENSIONAL COMMON-FEATURE HYPOTHESES AND 2D-QSAR STUDIES ON SOME ANTIMICROBIOLOGICALLY ACTIVE AMIDES AGAINST DRUG-RESISTANCE STAPHYLOCOCCUS AUREUS
15:50 - 16:20  Coffee Break

Computer-Aided Drug Discovery (III)
Chairs: David Livingstone and Vladimir Palyulin
16:20 - 17:00  Plenary lecture
Alexander Tropsha. School of Pharmacy, University of North Carolina at Chapel Hill, USA. COMBINATIONAL QSAR MODELING OF CHEMICAL TOXICANTS TESTED AGAINST TETRAHYMENA PYRIFORMIS
17:00 - 17:20  Major Talk
Douglas Oliver. Unit for Drug Research and Development, School of Pharmacy, North-West University Potchefstroom Campus, Potchefstroom, South Africa. MOLECULAR MODELLING AND MEDICINAL CHEMISTY OF BIOACTIVE POLYCYCLIC CAGE COMPOUNDS
17:20 - 17:40  Major Talk
Esin Aki. Pharmaceutical Chemistry Dept., Faculty of Pharmacy, Ankara University, Ankara, Turkey. PHARMACOPHORE ANALYSIS OF TOPOISOMERASE II INHIBITORY ACTIVE BENZAZOLES
17:40 - 17:55  Oral Communication
Roman Efremov. Institute of Bioorganic Chemistry, Russian Academy of Sciences, Moscow, Russia. MOLECULAR MODELING OF MEMBRANE PROTEINS – PERSPECTIVE DRUG TARGETS.
17:55 - 18:10  Oral Communication
Kimito Funatsu. The University of Tokyo, Department of Chemical System Engineering, Japan. APPLICATION OF THE NOVEL MOLECULAR ALIGNMENT METHOD USING THE HOPFIELD NEURAL NETWORK TO 3D-QSAR
18:10 - 18:25  Oral Communication
Yuriy Vorobjev. Institute of Chemical Biology and Fundamental Medicine of Siberian Brunch of Russian Academy of Sciences, Novosibirsk, Russia. AB INITIO DOCKING METHOD COMBINING CAVITY SEARCH WITH MOLECULAR DYNAMICS
18:25 - 18:45  Presentation of CMTPI-2009
19:30  Gala Dinner

05.09.2007

Computer-Aided Drug Discovery (IV)
Chairs: Hiroshi Chuman and Jean-Pierre Doucet
09:00 - 09:20  Major Talk
Vladimir Palyulin. Department of Chemistry, Moscow State University, Moscow, Russia. MFTA-BASED DESIGN OF ACTIVE STRUCTURES
09:20 - 09:40  Major Talk
Daniel Domine. Merck Serono Geneva Research Center, Geneva, CH. OPTIMIZING THE USE OF TOXICITY PREDICTION TOOLS ACROSS DRUG DISCOVERY STAGES
09:40 - 10:00  Major Talk
Petko Petkov. Laboratory of Mathematical Chemistry, Bourgas As. Zlatarov University, Bourgas, Bulgaria. MECHANISM BASED COMMON REACTIVITY PATTERN (COREPA) MODELING OF AHR BINDING AFFINITY
10:00 - 10:15  Oral Communication
Tuomo Kalliokoski. Department of Pharmaceutical Chemistry, University of Kuopio, Finland. FIELDCHOPPER, MOLECULAR FIELD-BASED VIRTUAL SCREENING METHOD. DESCRIPTION AND EVALUATION
10:15 - 10:30  Oral Communication
Marjan Vracko. National Institute of Chemistry, Ljubljana, Slovenia. QSAR STUDY ON A SET OF QUINOXALINE COMPOUNDS AS ANTITUBERCULOSIS DRUGS USING THE COUNTER PROPAGATION NEURAL NETWORKS
10:30 - 10:45  Oral Communication
Banafsheh Javahery. Department of Chemistry, Imam Hossein University, Tehran, IRAN. STRUCTURAL-ACTIVITY RELATIONSHIP (SAR), ATOMIC ELECTRON DENSITY AND CONFORMATIONAL INVESTIGATION OF FENTANYL ANALOGUES (FA)
10:45 - 11:15  Coffee Break

SCI-MIX
Chairs: Paola Gramatica and Ismail Yalcin
11:15 - 11:35  Major Talk
Takashi Okada. School of Science and Technology, Kwansei Gakuin University, Japan. PHARMACOPHORE IDENTIFICATION BY DATA MINING
11:35 - 11:55  Major Talk
Konstantin Balakin. Chemical Diversity Research Institute, Khimki, Moscow Region, Russia. NEW INSIGHTS FOR HERG INHIBITION USING MAPPING TECHNIQUES
11:55 - 12:10  Oral Communication
Marcia Ferreira. Instituto de Quimica, Universidade Estadual de Campinas, Brazil. CHEMOMETRIC INVESTIGATIONS OF MULTIDRUG RESISTANCE IN STRAINS OF THE PHYTOPATHOGENIC FUNGUS PENICILLIUM DIGITATUM
12:10 - 12:25  Oral Communication
Melek Turker Sacan. Bogazici University, Inst?tute of Environmental Sciences, Istanbul, Turkey. ASSESSMENT AND MODELLING OF THE TOXICITY OF SUBSTITUTED AROMATIC COMPOUNDS TO FIVE AQUATIC SPECIES
12:25 - 12:40  Oral Communication
Sonja Nikolic. The Rugjer Boskovic Institute, Zagreb, Croatia. THE ZAGREB APPROACH TO THE STRUCTURE-PROPERTY-ACTIVITY MODELING
12:40 - 14:00  Lunch

14:00 - 14:45  Plenary Lecture
Nikolay Zefirov. Department of Chemistry, Moscow State University, Moscow, Russia. MEDICAL CHEMISTRY AND MATHEMATICS.
14:45 - 16:00  Closing of the Symposium

 
List of Posters
Poster Session Guidelines
  1. Roustam M. Abdeev, Sergey A. Brouskin, Tatiana A. Nikolskaya, Eleonora S. Piruzian. Center for Theoretical Problems of Physical-Chemical Pharmacology Russian Academy of Sciences. SURVEY OF PSORIASIS CANDIDATE GENES BY USING BIOINFORMATICS.
  2. Vladimir Agadjanyan, Eduard Oganesyan. Pyatigorsk State Pharmaceutical Academy, Russia. APPLICATION OF THE QUANTUM-CHEMICAL ANALYTICAL METHODS TO SUBSTANTIATE THE ANTIRADICAL ACTIVITY IN THE FLAVONE, CHALCONE AND CINNAMIC ACID HYDROXYDERIVATIVE SERIES.
  3. Ruslan Aliev, Svetlana D.Demukhamedova, Irada N.Alieva, Niftali M.Godjaev. Institute for Physical Problems, Baku State University, Baku, Azerbaijan. STUDY OF PEPTIDE BOND DEFORMATION IN MODEL DIPEPTIDES BY THE SEMIEMPIRICAL QUANTUM CHEMISTRY METHODS.
  4. Sabiha Alper-Hayta, Ilkay Yildiz, Ozlem Temiz-Arpaci, Esin Aki-Sener, Ismail Yalcin. Faculty of Pharmacy, Ankara University, Ankara, Turkey. FREE-WILSON STUDY ON SOME MICROBIOLOGICALLY ACTIVE BENZAZOLES.
  5. Elena Andreeva, Oleg A. Raevsky.Institute of Physiologically Active Compounds, Russian Academy of Sciences, Russia. A DEVELOPMENT OF NEAREST NEIGHBOR METHOD FOR LIPOPHILICITY CALCULATION.
  6. Galina N. Apryshko, Irina S. Golubeva, Olga V. Gorunova, Nadia P. Yavorskaya, Dmitry A. Filimonov, and Vladimir V. Poroikov. RussianCancer Research Center of Russian Academy of Medical Sciences. COMPUTER-BASED PREDICTION OF ACTIVITY AND EXPERIMENTAL TESTING OF N-GLYCOSIDES OF SUBSTITUTED INDOLO[2,3-a]CARBAZOLES IN SEARCH FOR NEW ANTITUMOR SUBSTANCES.
  7. Galina N. Apryshko, Dmitry A. Filimonov and Vladimir V. Poroikov. RussianCancer Research Center of Russian Academy of Medical Sciences. COMPUTER-BASED SEARCH FOR NEW ANTITUMOR DRUGS USING THE RCRC RAMS DATABASE ON ANTITUMOR SUBSTANCES.
  8. Anatoly G. Artemenko, Victor E. Kuzmin, Eugene N. Muratov, Leonid G. Gorb, Mohammad Qasim, and Jerzy Leszczynski. A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine. 2D QSAR ANALYSIS OF NITROAROMATIC TOXICITY OF THE TETRAHYMENA PYRIFORMIS.
  9. Natalia V. Artemenko, Tim James, Darren Fayne, David G. Lloyd. School of Biochemistry & Immunology, Trinity College Dublin, Ireland. A SIMPLE MODEL FOR THE PREDICTION OF BRAIN-BLOOD BARRIER PENETRATION BASED ON 2D AND SUBSTRUCTURAL DESCRIPTORS USING PLS STATISTICS.
  10. Konstantin Balakin, Andrey A. Ivashchenko, Yan A. Ivanenkov. Chemical Diversity Research Institute, Moscow, Russia. SMART MINING: A NOVEL TECHNOLOGY FOR ADDRESSING ADME/TOX ISSUES.
  11. Anna Balandina, Sergey S. Karamzin. National Research Center for Hematology, Lomonosov Moscow State University, Moscow, Russia. SPATIAL DYNAMICS OF THROMBIN GENERATION IN PLASMA.
  12. Hu Rongjing, Florent Barbault, Delamar Michel, Doucet Jean-Pierre, Ruisheng Zhang. ITODYS, Universit Paris, France. QSAR STUDIES ON A SET OF PYRIMIDINE NUCLEOSIDES AS ANTI HIV-1 AGENTS.
  13. Elena V.Shilova, Violetta L. Kovaleva, Athina Geronikaki, Dmitry Blinov, Vladimir V. Poroikov, Oxana V. Proskurina. Mordovian Ogarev State university, Saransk, Russia. ESTIMATION OF BIOLOGICAL ACTIVITY SPECTRA FOR 2-AMINOTHIAZOLES AND 2-AMINOBENZOTHIAZOLES.
  14. Anna Boiko, Alexander V. Veselovsky, Vladlen S. Skvortsov, Oleg A. Raevsky. Moscow State University, Russia. INTERACTION OF THE ESTROGEN RECEPTOR WITH LIGAND FROM DIFFERENT CHEMICAL CLASSES: 3D-QSAR WITH COMSIA ANALYSIS.
  15. Oya Bozdag-Dundar, Ilkay Yildiz. Ankara University, Faculty of Pharmacy, Department of Pharmaceutical Chemistry, Ankara, TURKEY. MOLECULAR STRUCTURE OF 3-[2-(4-CHLORO-PHENYL)-2-OXO-ETHYL]-5-(2,4-DICHLORO-THIAZOLE-5-YL-METHYLENYL)- THIAZOLIDINE-2,4-DIONE AS ANTIFUNGAL AGENT.
  16. Sergey A. Brouskin, Roustam M. Abdeev, Tatiana A. Nikolskaya, Eleonora S. Piruzian. Vavilov Institute of General Genetics, Russian Academy of Sciences. COMPARISON OF PSORIASIS AND CROHN'S DISEASE PATHOLOGICAL PROCESSES AT THE LEVEL OF GENE NETWORK INTERACTIONS BY BIOINFORMATICS METHODS.
  17. Alex Bunker. Faculty of Pharmacy, University of Helsinki, Finland. DETAILED MOLECULAR DYNAMICS SIMULATION OF PROTEIN-LIGAND INTERACTIONS FOR TWO IMPORTANT DRUG TARGETS: CATECHOL-O-METHYL TRANSFERASE (COMT) AND PROLYL OLIGOPEPTIDASE (POP).
  18. Alexander Chernorudskiy, Alejandro Garcia, Eugene Eremin, Anastasia Shorina-Zhabereva, Ekaterina Kondratieva and Murat Gainullin. Institute of Applied and Fundamental Medicine, Nizhny Novgorod State Medical Academy, Russia. UBIPROT DATABASE AND ANALYSIS OF PROTEIN UBIQUITYLATION FOR APPLICATION IN PHARMACOLOGICAL RESEARCH.
  19. Anton Chugunov, Valery N. Novoseletsky, Roman G. Efremov. Institute of Bioorganic Chemistry, Russian Academy of Sciences, Russia. QUALITY OF COMPUTER-BUILT MODELS OF MEMBRANE PROTEINS ASSESSED VIA KNOWLEDGE-BASED APPROACH.
  20. James Devillers, Pascal Pandard, Eric Thybaud, and Anne Merle. CTIS, France. INTERSPECIES RELATIONSHIPS IN THE ACUTE TOXICITY OF XENOBIOTICS.
  21. Alexander Dmitriev, Alexey A Lagunin., Alexey V Zakharov., Olga A Filts, Dmitry A Filimonov and Vladimir V Poroikov. Institute of Biomedical Chemistry, Russian Academy of Medical Sciences, Moscow, Russia. COMPUTER PREDICTION OF SUBSTRATES, INHIBITORS AND INDUCERS OF CYTOCHROME P450.
  22. Jean-Pierre Doucet, Ana G. Maldonado, Michel Petitjean and Bo-Tao Fan. ITODYS, Universit Paris, France. USER CUSTOMIZED MOLECULAR DIVERSITY ANALYSIS USING THE MOLDIA SOFTWARE.
  23. Pavel Dyachkov, Nina V. Kharchevnikova, Alexandr V. Dmitriev, Alexei V. Kuznetzov, Vladimir V. Poroikov. N.S. Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Moscow, Russia. QUANTUM CHEMICAL SIMULATION OF CYTOCHROME P450 CATALYZED AROMATIC OXIDATION: METABOLISM, TOXICITY, AND BIODEGRADATION OFBENZENE DERIVATIVES.
  24. Doga Erturk, Melek Turker Sacan. Bogazici University, Institute of Environmental Sciences, Turkey. MODELING THE TOXICITY OF BENZENE DERIVATIVES TO THE TADPOLE (Rana japonica) WITH THE CHARACTERISTIC ROOT INDEX AND SEMIEMPIRICAL MOLECULAR DESCRIPTORS.
  25. Marcia Ferreira, Mirian C. S. Pereira, Rudolf Kiralj. Institutode Qumica, Universidade Estadual de Campinas, Brazil. COMPUTATIONAL STUDY OF ARTEMISININ INTERACTION WITH HEME AND ITS POSTERIOR DECOMPOSITION.
  26. Olga Filz, Alexey Lagunin, Dmitriy Filimonov, Vladimir Poroikov. Institute of Biomedical Chemistry, Russian Academy of Medical Sciences, Russia. COMPUTER-AIDED PREDICTION OF HERG CHANNELS REGULATION.
  27. Eduard S. Fomin, Nikolay A. Alemasov, Artem S. Chirtsov, Arseniy E. Fomin. Institute of Cytology and Genetics, Siberian Branch of Russian Academy of Sciences, Russia. MOLKERN AS NEW EFFECTIVE ENGINE FOR DRUG DISCOVERY SOFTWARE.
  28. Alexander Golbraikh, Hao Zhu, Kun Wang, Mei Wang Bell and Alexander Tropsha. School of Pharmacy, University of North Carolina, USA. QSAR ANALYSIS OF IMBALANCED TOXICITY DATASETS USING K-NEAREST NEIGHBORS APPROACH.
  29. Veniamin Grigorev, Eric E. Weber, Oleg A. Raevsky. Institute of Physiologically Active Compounds, Russian Academy of Sciences, Russia. CLASSIFICATION SAR MODELS OF CHEMICALS TOXICITY TO GUPPY, FATHEAD MINNOW AND RAINBOW TROUT ON THE BASIS OF STRUCTURE SIMILARITY.
  30. Paola Gramatica and Ester Papa.Department of Structural and Functional Biology, University of Insubria, Varese, Italy. PBTs SCREENING BY MULTIVARIATE ANALYSIS AND QSAR MODELING.
  31. Paola Gramatica, Pamela Pilutti and Ester Papa. Department of Structural and Functional Biology, University of Insubria, Varese, Italy. PREDICTION OF POLYCYCLIC AROMATIC COMPOUNDS' MUTAGENICITY AND GENOTOXICITY BY QSAR CLASSIFICATION MODELS.
  32. Paola Gramatica and Huanxiang Liu. Department of Structural and Functional Biology, University of Insubria, Varese, Italy. QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP STUDY OF SELECTIVE LIGANDS FOR THE THYROID HORMONE RECEPTOR.
  33. Tad Hurst, ChemNavigator, Inc, San Diego, USA. 3DPL AN ULTRA-FAST, INTERNET ENABLED PROTEIN-BASEDSEARCHING/DOCKING SYSTEM FOR BIOLOGISTS AND CHEMISTS.
  34. Svava Jonsdottir, Irene Kouskoumvekaki, Olivier Taboureau, Niclas T. Hansen, Jens E. P. Larsen, Preeti Singh, Flemming S. Jrgensen and Sren Brunak. Center for Biological Sequence Analysis (CBS), BioCentrum, Technical University of Denmark, Kongens Lyngby, Denmark. CHEMOINFORMATICS TOOLS FOR PREDICTION OF VARIOUS PROPERTIES OF RELEVANCE TO DRUG DISCOVERY.
  35. David Karlinsky, Michael E. Popov, Alexander P. Kaplun. Moscow State University, Russia. FINDING BINDING SITES FOR LOW-MOLECULAR LIGANDS ON THE SURFACE OF C1Q WITH MOLECULAR DOCKING.
  36. Veronika Khairullina, Svetlana Kirlan, Anatolyi Gerchikov, Lidiya Tyurina, Garifa Garifullina, Alexander Kolbin. Bashkir State University, Ufa, Russia. MOLECULAR DESIGN Of ANTIOXIDANTS BY SUPERPOSITION OF THEIR EFFICIENCY AND LOW LEVEL OF A TOXICITY.
  37. Veronika Khayrullina, Azat Mukhametov, Anatoliy Gerchikov, Garifa Garifullina, Lidija Turina, Felix Zarudiy. Bashkir State University, 32, Frunze Str., Ufa, Russia. THEORY OF PATTERN RECOGNITION IN THE DEVELOPMENT OF THE LOW-TOXIC ANTIINFLAMMATORY DRUGS.
  38. Olga V. Kharitonova, Svetlana V. Kurbatova.Samara State University, Samara, Russia. QSAR STUDY OF NITROGEN-CONTAINING BIOLOGICAL ACTIVE HETEROCYCLES.
  39. Olga Koborova, Alexey V. Zakharov, Alexey A. Lagunin, Dmitrii . Filimonov, Alexander Kel, Fedor Kolpakov, Ruslan Sharipov and Vladimir V. Poroikov. Moscow State University, Russia. COMPUTER-AIDED PREDICTION OF PROMISING ANTI-TUMOR TARGETS TAKING INTO ACCOUNT INFORMATION ABOUT PROBABLE SIDE EFFECTS.
  40. Ludmila Kochetova, Natalya Scheglova, tyana ustova and Natalya linina. SEI HPE Ivanovo State University, Ivanovo, Russia. ARYLSULFONILATIONOF a-AMINOACIDS: QSAR AND COMPUTER MODELING OF REACTIONS MECHANISM.
  41. Fedor Kolpakov, Vladimir Poroikov, Ruslan Sharipov, Luciano Milanesi, and Alexander Kel. Institute of Systems Biology, Design Technological Institute of Digital Techniques SB RAS, Russia. CYCLONET - AN INTEGRATED DATABASE AND COMPREHENSIVE TOOL FOR COMPUTATIONAL PHARMACOLOGY.
  42. Nadezhda Kovalevskaya, Yegor Smurnyy, Berry Birdsall, James Feeney, Vladimir Polshakov. Center for Drug Chemistry, Moscow, Russia. SOLUTION STRUCTURES AND DYNAMICS OF THE DIHYDROFOLATE REDUCTASE COMPLEXES WITH ANTIBACTERIAL DRUG TRIMETHOPRIM.
  43. Sunil Kulkarni, Joel Paterson and Jiping Zhu. Safe Environments Programme, Health Canada, Ottawa, Canada. INTEGRATED APPROACH TO ASSESS THE DOMAIN OF APPLICABILITY OF SOME COMMERCIAL (Q)SAR MODELS.
  44. Mikhail Kumskov, Nikolai S. Zefirov, Igor V. Svitanko, Alexei M. Zaharov, Ludmila A. Ponomareva. Zelinsky Institute of Organic Chemistry, Moscow, Russia. UNIFIED REPOSITORY OF QSAR MODELS AND MOLECULES - THE SYSTEM OF PROPERTY PREDICTION OF THE CHEMICAL COMPOUND.
  45. Nikita Kuznetsov, Vladimir Koval, Olga Fedorova and Yury Vorobjev. Institute of Chemical Biology and Fundamental Medicine of SB RAN, Novosibirsk, Russia. ANALYSIS OF PROCESSING MECHANISM OF HUMAN 8-OXOGUANINE-DNA GLYCOSYLASE ENZYME OF DNA REPAIR SYSTEM.
  46. Jens Larsen, Olivier Taboureau, Flemming S. Jrgensen, Sren Brunak and Svava Y. Jnsdttir. Center for Biological Sequence Analysis (CBS), Technical University of Denmark, Denmark. A MULTI-MUTAGENICITY ENDPOINT MODEL BUILT ON TOXICOPHORES.
  47. Olga Levtsova, Konstantin V. Shaitan. Moscow State University, Russia. MOLECULAR DYNAMICS OF ZERVAMICIN II AND ITS MUTANTS IN DIFFERENT SOLVENTS.
  48. Nathalie Marchand-Geneste, Alain Carpy, James Devillers and Jean-Marc Porcher. Universit Bordeaux 1, Talence, France. e-EXPERIMENTAL ENDOCRINE DISRUPTOR BINDING ASSAY (e3dba) DATABASE.
  49. Marica Medic-Saric and Vesna Rastija.Faculty of Pharmacy and Biochemistry, University of Zagreb, Zagreb, Croatia. QSAR STUDY OF ANTHOCYANINS, ANTHOCYANIDINS AND CATECHIN AS INHIBITORS OF LIPID PEROXIDATION.
  50. Marica Medic-Saric, Ivona Jasprica, Zeljko Debeljak and Ana Mornar. Faculty of Pharmacy and Biochemistry, University of Zagreb, Zagreb, Croatia. QSAR STUDY OF FLAVONOIDS' IMMUNOMODULATORY ACTIVITY.
  51. Svetlana Mikhaylichenko, Vladimir V. Dounin, Vladimir N. Zaplishny, Alexey A. Chesnyuk. University of Toronto Scarborough, Toronto, Canada. SYNTHESIS AND POTENTIAL BIOACTIVITY OF NEW PYRAZOLYL-SYM-TRIAZINE DERIVATIVES.
  52. Svetlana Mikhaylichenko, Vladimir V. Dounin, Vladimir N. Zaplishny. University of Toronto Scarborough, Toronto, Canada. EFFECTIVITY OF THE PASS PROGRAM IN PREDICTING OF BIOLOGICAL ACTIVITY FOR SYM-TRIAZINE DERIVATIVES.
  53. Oleg A. Raevsky, Dmitry Moiseev, Olga E. Raevskaya, Elena V. Bovina, Klaus-Jorden Schaper. Institute of Physiologically Active Compounds, Russian Academy of Sciences, Russia. A GENERAL PHYSICOCHEMICAL QSPR MODELS OF CHEMICALS PARTITIONING IN SYSTEM SOLVENTWATERAIR.
  54. Umpei Nagashima, Sumie Tajima, Makoto Haraguchi. Research Institute for Computational Science, National Institute of Advanced Industrial Science and Technology, Japan. ENERATION OF NOVEL EQUATION FOR THE LOGALITHMIC RATIO OF THE OCTANOL-WATER PARTITION FUNCTION: LOG P ESTIMATION USING PERCEPTRON TYPE NEURAL NETWORK - DEVELOPMENT OF COMPUTER AIDED MOLECULAR DESIGN SYSTEM: MolWorks.
  55. Ludmila Naumenko, Pavel M. Vassiliev, Alexander A. Spasov. VolgogradState Medical University, Volgograd, Russia. THE MICROCOSM INFORMATION TECHNOLOGY SYSTEM FOR BIOLOGICAL ACTIVITY PREDICTION OF ORGANIC COMPOUNDS: THE PREDICTION OF HEMORHEOLOGICAL ACTIVITY.
  56. Alexey Neznanov, Victor A. Kokhov, Sergey V. Tkachenko. Moscow Power Engineering Institute (Technical University), Moscow, Russia. NEW MATHEMATICAL MODELS AND SOFTWARE TOOLS FOR COMPLEXITY AND SIMILARITY ANALYSIS OF MOLECULAR GRAPHS.
  57. Lyudmila Ognichenko, Victor E. Kuz'min, Anatoly G. Artemenko. Physico-Chemical Institute of the National Academy of Sciences of Ukraine, Odessa, Ukraine. NEW STRUCTURAL DESCRIPTORS OF MOLECULES ON THE BASIS OF SYMBIOSIS OF THE INFORMATIONAL FIELD MODEL AND SIMPLEX REPRESENTATION OF MOLECULAR STRUCTURE.
  58. Igor Orshanskiy, Ksenia B. Tereshkina, Yegor V. Tourleigh, Konstantin V. Shaitan. Moscow State University, Russia. SECONDARY STRUCTURE OF ISGNAL PEPTIDES OF NS2 PROTEIN OF HCV AND ITS STABILITY.
  59. Evgenija Osipova, Vladimir Kuz'min, Natalija .Kuzmina. The State Scientific Research Institute of Organic Chemistry and Technology, Russia. THE GEOMETRICAL APPROACH TO FORECASTING EFFECTIVE NARCOTIC DEPENDENCE REMEDIES.
  60. Ruslan Ostapchuk, Vladimir Zatsepin, Vladimir Ivanchenko. All-Russian Institute of Scientific and Technical Information, Moscow, Russia. DEVELOPMENT OF THE INFORMATION SUBSYSTEM ON MATHEMATICAL MODELS IN TOXICOLOGY AND PHARMACOLOGY.
  61. Annick Panaye, James DEVILLERS, Jean-Pierre DOUCET, Nathalie MARCHAND- GENESTE and Jean-Marc PORCHER. ITODYS, Universit Paris, France. DECISION TREES FOR CLASSIFICATION OF ENDOCRINE DISRUPTORS.
  62. G.L. Perlovich, N.N. Strakhova, V.P. Kazachenko, K.-J. Schaper, O.A. Raevsky. Department of Computer-Aided Molecular Design, Institute of Physiologically Active Compounds, Russian Academy of Sciences, Chernogolovka, Russia. SULFONAMIDES AS A SUBJECT TO STUDY MOLECULAR INTERACTIONS IN CRYSTALS AND SOLUTIONS: SUBLIMATION, SOLUBILITY, SOLVATION, DISTRIBUTION.
  63. Pavel Polishchuk, Victor E. Kuzmin, Anatoly G. Artemenko, Svetlana Yu. Makan, Sergey A. Andronati. A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine. NEW APPROACH OF QUANTITATIVE INTERPRETATION OF DECISION TREE MODELS AND ITS APPLICATION FOR SOLUTION OF QSAR TASKS.
  64. Elena Ponomarenko, Andrey V. Lisitsa, Alexander I.Archakov. Institute of Biomedical Chemistry, Russian Academy of Medical Sciences, Russia. TEXT MINING TOOLS IN ANALYSIS OF HIGH-THROUGHPUT DATA.
  65. Oxana Proskurina, Violetta L. Kovaleva, Athina Geronikaki, Elena V.Shilova, Vladimir V. Poroikov, Dmitry S. Blinov. National Research Center on Biologically Active Compounds, Staraya Kupavna, Russia. ANTIINFLAMMATORY AND ANALGESIC ACTIVITY OF NEW DERIVATIVES OF 2-AMINOBENZOTHIAZOLE.
  66. Mikhail Pyatnitskiy, Andrey V Lisitsa, Alexander I Archakov. Institute of Biomedical Chemistry, Russian Academy of Medical Sciences, Russia. PREDICTION OF PROTEIN-PROTEIN INTERACTIONS: PHYLOGENETIC PROFILES AND CLUSTER ANALYSIS.
  67. Timothy Pyrkov, Yuri A. Kosinsky, Roman G. Efremov. Institute of Bioorganic Chemistry, Russian Academy of Sciences, Moscow,, Russia. LIGAND-SPECIFIC SCORING FUNCTIONS: IMPROVED RANKING OF DOCKING SOLUTIONS.
  68. Sergei Rahmanov and Vsevolod J. Makeev. GosNIIGenetika, Moscow, Russia. KNOWLEDGE-BASED POTENTIALS ALLOW PLACEMENT OF WATER AND IONS IN MACROMOLECULAR INTERFACES.
  69. Vasily Ramensky, Natalia I. Zaitseva, Anatoly R. Rubinov, Victor V. Zosimov. Institute of Molecular Biology of Russian Academy of Sciences, Applied Acoustics Research Institute, Russia. COMPUTATIONAL DRUG DESIGN BASED ON A NOVEL APPROACH TO LOCAL SIMILARITY OF PROTEIN BINDING SITES.
  70. Alexander Rasdolsky, Gerasimenko V.A., Filimonov D.A., Poroikov V.V., Weber E.J., Raevsky O.A. Institute of Physiologically Active Compounds, Russian Academy of Sciences, Russia. CLASSIFICATION OF ORGANIC COMPOUNDS BY THEIR MODE OF TOXIC ACTION ON DAPHNIA MAGNA BY THREE DIFFERENT METHODS.
  71. Joseph Rebehmed; Florent Barbault; Catia Teixeira; Franois Maurel; BoTao Fan. ITODYS, Universit Paris, Paris, FRANCE. COMFA/COMSIA AND 2D QSAR STUDIES OF DIARYLPYRIMIDINE HIV-1 REVERSE TRANSCRIPTASE INHIBITORS.
  72. Irine Sarvilina, Anna Krishtopa, Yuri Maklyakov, Daria Gordienko. South Scientific Centre of Russian Academy of Sciences, Russia. AIDA: SOFTWARE FOR MODELING OF GLUCOSE-INSULIN INTERACTIONS IN PATIENTS WITH DIABETES MELLITUS TYPE 1.
  73. Anastasia Sergeiko, Alla Stepanchikova, Boris Sobolev, Sergey Zotchev, Dmitry Filimonov, Alexey Lagunin, Vladimir Poroikov. Institute of Biomedical Chemistry, Russian Academy of Medical Sciences, Russia. COMPUTER-AIDED DESIGN OF POLYKETIDES WITH THE REQUIRED PROPERTIES.
  74. Maria Shadrina, Bella Grigorenko, Alexander Nemukhin. Moscow State University, Russia. MODELING CATALYTIC MECHANISMS OF HYDROLYSIS OF NUCLEOSIDE TRIPHOSPHATES (NTP).
  75. Ruslan Sharipov, Yuriy Kondrakhin, Fedor Kolpakov. Institute of Cytology and Genetics SB RAS, Novosibirsk, Russia. EXPRESSION ANALYSIS OF NF-kB-REGULATED GENES IN BREAST CANCER. META-ANALYSIS OF MICROARRAY DATA.
  76. Dmitry Shcherbinin, Alexander V. Veselovsky. Institute of Biomedical Chemistry, Russian Academy of Medical Sciences, Russia. COMPUTER MODELING OF INTERACTIONS BETWEEN HIV-1 INTEGRASE AND STYRYLQUINOLINES.
  77. Tianxiang Shen, Feng Li, Jianhua Yao. Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, China. CISOC-CHIMS: CHEMICAL INFORMATION MANAGEMENT SYSTEM.
  78. Dmitry Shulga, Alexander Oliferenko, Sergey Pisarev, Vladimir Palyulin, Nikolay Zefirov. Institute of Physiologically Active Compounds, Russian Academy of Sciences, Russia. AST TOOLS FFOR CALCULATION OF ATOMIC CHARGES WELL SUITED FOR DRUG DESIGN.
  79. Irina Shutova, Olga V. Melnik, Vladimir P. Golubovich. The Institute of Bioorganic Chemistry of the National Academy of Sciences of Belarus. COMPUTER DESIGN OF LOW-MOLECULAR COMPOUNDS OF A PEPTIDE KIND - ACTIVATORS OF DIRECTIONAL DIFFERENTIATION OF STEM CELLS.
  80. Natalya Skvortsova, Sergey M. Novikov. A.N. Sysin Research Institute of Human Ecology and Environmental Healt, Russian Academy of Medical Sciences, Russia. DATABASE OF ENVIRONMENT POLLUTANTS FOR HEALTH RISK ASSESSMENT AND PROGNOSIS OF THE NEW CHEMICAL SUBSTANCE UNKNOWN CHARACTERISTICS.
  81. Vladlen Skvortsov, Alexei A. Lagunin, Dmitrij A. Filimonov, Oleg A. Raevsky. Institute of Biomedical Chemistry, Russian Academy of Medical Sciences, Russia. INTEGRATED SYSTEM FOR PREDICTION OF THE BIOLOGICAL ACTIVITY, TOXICITY AND PHYSICOCHEMICAL PROPERTIES.
  82. Egor Sobolev, Oleg V. Sobolev and Dmitry A. Tikhonov. Institute of Mathematical Problems of Biology, Russia. ONLINE RESOURCE FOR THEORETICAL STUDY OF HYDRATION OF BIOPOLYMERS.
  83. Mariya Solodilova, Alexey V. Polonikov, Vladimir P. Ivanov. Kursk State Medical University, Kursk, Russia. APPLICATION OF SET-ASSOCIATION APPROACH TO SEARCHING FOR SINGLE NUCLEOTIDE POLYMORPHISMS OF "ENVIRONMENTAL GENES" RESPONSIBLE FOR COMPLEX DISEASE SUSCEPTIBILITY.
  84. Milan Soskic. Faculty of Agriculture, University of Zagreb, Zagreb, Croatia. INHIBITION OF THE HILL REACTION BY ORGANOPHOSPHORUS INSECTICIDES AND SIMPLE ORGANIC MOLECULES: A QSAR STUDY.
  85. Mikhail Stryapan, Mikhail Islyaikin. Ivanovo State University of Chemistry and Technology, Ivanovo, Russia. ELECTRON AND SPATIAL STRUCTURE PECULIARITIES OF MACROHETEROCYCLIC COMPOUDS.
  86. Boris Sukhov, Aidar T. Gubaidullin*, Igor A. Litvinov*, Svetlana F. Malysheva, Alexander V. Vashchenko, Vladimir I. Smirnov, Yulia A. Grigoreva, Nina K. Gusarova, Boris A. Trofimov. Institute of Organic and Physical Chemistry of RAS, Russia. "PROPELLER" CHIRALITY AND SPONTANEOUS RESOLUTION OF TRISTYRYLPHOSPHINE CHALCOGENIDES INTO ENANTIOMERS.
  87. Alexey Sulimov, Vladimir B Sulimov, Alexey N Romanov, Fedor V Grigoriev, Olga A Kondakova, Peter A Bryzgalov and Denis A Ostapenko. Reseach Computer Center at M.V. Lomonosov Moscow State University, Moscow, Russia. WEB-ORIENTED SYSTEM KEENBASE FOR NEW DRUGS DESIGN.
  88. Catia Teixeira, Florent Barbault, Joseph Rebhemed, Karen Urgin, Nawal Serradji, Franoise Heymans, Franois Maurel. ITODYS, Universit Paris, France. SYSTEMATIC CONFORMATIONAL STUDIES OF NEW POTENTIAL HIV-1 ENTRY INHIBITORS TARGETING CD4-G.
  89. Ozlem Temiz-Arpaci, Betul Tekkner-Gulbas, Ilkay Yildiz, Esin Aki-Sener, Ismail Yalcin. Faculty of Pharmacy, Ankara University, Ankara, Turkey. 2D-QSAR STUDIES OF SOME BENZOXAZOLES AGAINST S. aureus.
  90. Ksenia Tereshkina, Konstantin V. Shaitan and Eduard V. Tereshkin. Moscow State University, Russia. PROGRAM-APPARATUS SOLUTIONS AT ION CHANNEL COMPUTER MODELLING BY THE EXAMPLE OF GABA-A CHANNEL.
  91. Olga Tikhonova, Vladlen S. Skvortsov, Veniamin Yu. Grigorev and O.A.Raevsky. Institute of Biomedical Chemistry, Russian Academy of Medical Sciences, Russia. 3D-QSAR MODELS OF IRREVERSIBLE AND REVERSIBLE INHIBITORS OF ACETYLCHOLINESTERASE.
  92. Lidija Tyurina, Liana Sementeeva, Alexander Kolbin, Rail Valitov. State Petroleum Technological University, Ufa, Russia. BANKS of MODELS AND KNOWLEDGE BASE OF RESULTS SAR - BASIS OF MOLECULAR DESIGN AND PREDICTION.
  93. Francisco Torrens and Gloria Castellano. Institut Universitari de Cincia Molecular, Universitat de Valncia, Edifici dInstituts de Paterna, Spain. CHARGE-TRANSFER INDICES FOR MULTIFUNCTIONAL AMINO ACIDS.
  94. Daria Tsareva, Alexander A. Oliferenko, Vladimir A. Palyulin, Nikolai S. Zefirov. Moscow State University, Russia. COMPUTATIONAL DESIGN OF ACETYLCHOLINESTERASE INHIBITORS BY FRAGMENT LINKING.
  95. Irina Tsygankova. Institute of Experimental and Theoretical Biophysics RAS. FRAGMENTAL DESCRIPTORS IN QSAR MODELS: SELECTION AND INTERPRETATION.
  96. Nikolay Tverdokhlebov, Alexey Zhuchkov, Boris Alperovich, Alexander Kravchenko. Telecommunication Centre UMOS, Russia. GRID-SERVICES FOR EVIDENCE-BASED PHARMACOLOGY.
  97. Andrew Voronkov, Igor I. Baskin, Vladimir A. Palyulin, Nikolai S. Zefirov. Moscow State University, Russia. COMPUTER BASED DRUG DESIGN OF LIGANDS FOR CRD DOMAIN OF FRIZZLED RECEPTOR AS PROSPECTIVE ANTICANCER COMPOUNDS.
  98. Dmitry Yakovlev, Pavel M. Vassiliev, Vladimir V. Poroikov, Dmitry A. Filimonov, Alexander A. Spasov, Maxim V. Chernikov and Alexandra N. Zheltukhina. Volgograd Science Centre,Russian Academy of Medical Sciences, Russia. THE 3D-MODELING, COMPUTER PREDICTION AND EXPERIMENTAL TESTING OF 5-HT3-ANTISEROTONIN ACTIVITY OF NEW CHEMICAL COMPOUNDS.
  99. Alexey Zakharov, Alexey Lagunin, Dmitry Filimonov and Vladimir Poroikov. Institute of Biomedical Chemistry, Russian Academy of Medical Sciences, Russia. QSAR MODELLING OF ACUTE TOXICITY IN THE FATHEAD MINNOW.
  100. Spela Zuperl, Sabina Passamonti, Marjana Novic. Laboratory of Chemometrics, National Institute of Chemistry, Ljubljana, Slovenia. QSAR STUDY OF BILITRANSLOCASE TRANSPORT ACTIVITY