QSAR & Combinatorial Science

Cover image for Vol. 28 Issue 8

Special Issue: EuroQSAR 2008

August 2009

Volume 28, Issue 8

Pages 773–928

Currently known as: Molecular Informatics

  1. Cover Picture

    1. Top of page
    2. Cover Picture
    3. Contents
    4. Editorial
    5. Full Papers
    6. Short Communications
    7. Abstracts
    1. Cover Picture: QSAR Comb. Sci. 8/2009 (page 773)

      Version of Record online: 10 AUG 2009 | DOI: 10.1002/qsar.200990025

  2. Contents

    1. Top of page
    2. Cover Picture
    3. Contents
    4. Editorial
    5. Full Papers
    6. Short Communications
    7. Abstracts
  3. Editorial

    1. Top of page
    2. Cover Picture
    3. Contents
    4. Editorial
    5. Full Papers
    6. Short Communications
    7. Abstracts
    1. You have free access to this content
      17th European Symposium on QSAR 2008 (page 779)

      Torbjörn Lundstedt, Katrin Lundstedt-Enkel, Johan Gottfries and Johan Trygg

      Version of Record online: 10 AUG 2009 | DOI: 10.1002/qsar.200990027

  4. Full Papers

    1. Top of page
    2. Cover Picture
    3. Contents
    4. Editorial
    5. Full Papers
    6. Short Communications
    7. Abstracts
    1. Pharmacophore Model of Cruzain Inhibitors (pages 781–784)

      Alberto Malvezzi, Leandro de Rezende and Antonia T.-do Amaral

      Version of Record online: 29 APR 2009 | DOI: 10.1002/qsar.200860197

    2. PLS Analysis for Antibacterial Activity of Natural Coumarins Using VolSurf Descriptors (pages 785–789)

      Catherine Koukoulitsa, Anna Tsantili-Kakoulidou, Thomas Mavromoustakos and Ioanna Chinou

      Version of Record online: 4 MAY 2009 | DOI: 10.1002/qsar.200860189

    3. Beyond QSAR: Lead Hopping to Different Structures (pages 797–801)

      Yvonne C. Martin and Steven Muchmore

      Version of Record online: 29 APR 2009 | DOI: 10.1002/qsar.200810176

    4. A QSAR Study on Indole-Based PPAR-γ Agonists in Respect to Receptor Binding and Gene Transactivation Data (pages 802–805)

      Costas Giaginis, Stamatios Theocharis and Anna Tsantili-Kakoulidou

      Version of Record online: 8 JUN 2009 | DOI: 10.1002/qsar.200860185

    5. Computer-Aided Prediction of Rodent Carcinogenicity by PASS and CISOC-PSCT (pages 806–810)

      Alexey Lagunin, Dmitrii Filimonov, Alexey Zakharov, Wei Xie, Ying Huang, Fucheng Zhu, Tianxiang Shen, Jianhua Yao and Vladimir Poroikov

      Version of Record online: 29 JUN 2009 | DOI: 10.1002/qsar.200860192

    6. Docking and Virtual Screening Using Distributed Grid Technology (pages 815–821)

      Alfonso T. García-Sosa, Sulev Sild and Uko Maran

      Version of Record online: 22 JUN 2009 | DOI: 10.1002/qsar.200810174

    7. Successful Application of OPLS-DA for the Discrimination of Wild-Type and Mutated Cells in Acute Lymphoblastic Leukemia (pages 822–828)

      Claudio Giuseppe Molteni, Giovanni Cazzaniga, Daniele F. Condorelli, Cosimo G. Fortuna, Andrea Biondi and Giuseppe Musumarra

      Version of Record online: 8 JUN 2009 | DOI: 10.1002/qsar.200860195

    8. The QSAR Modeling of Cytotoxicity on Anthraquinones (pages 829–833)

      Kalev Takkis, Sulev Sild and Uko Maran

      Version of Record online: 29 JUN 2009 | DOI: 10.1002/qsar.200860180

  5. Short Communications

    1. Top of page
    2. Cover Picture
    3. Contents
    4. Editorial
    5. Full Papers
    6. Short Communications
    7. Abstracts
    1. Designing a Combinatorial Library by Using Reagent Pharmacophore Fingerprint (pages 840–844)

      Hongming Chen, Ulf Börjesson, Ola Engkvist, Thierry Kogej, Mats A. Svensson, Niklas Blomberg, Dirk Weigelt, Jeremy N. Burrows and Tim Lange

      Version of Record online: 16 APR 2009 | DOI: 10.1002/qsar.200810178

    2. Accurate In Silico log P Predictions: One Can't Embrace the Unembraceable (pages 845–849)

      Igor V. Tetko, Gennadiy I. Poda, Claude Ostermann and Raimund Mannhold

      Version of Record online: 5 MAY 2009 | DOI: 10.1002/qsar.200960003

    3. Global or Local QSAR: Is There a Way Out? (pages 850–855)

      Miklos Feher and Todd Ewing

      Version of Record online: 29 APR 2009 | DOI: 10.1002/qsar.200860186

    4. Identification of Novel Scaffolds from an Original Chemical Library as Potential Antipsychotics (pages 856–860)

      Hugo Gutiérrez-de-Terán, Carla Correia, David Rodríguez, Maria Alice Carvalho, Jose Brea, María Isabel Cadavid, María Isabel Loza, Maria Fernanda Proença and Filipe Areias

      Version of Record online: 19 MAY 2009 | DOI: 10.1002/qsar.200860198

    5. Investigating Enzyme Selectivity and Hit Enrichment by Automatically Interfacing Ligand- and Structure-Based Molecular Design (pages 861–864)

      Orazio Nicolotti, Ilenia Giangreco, Teresa Fabiola Miscioscia and Angelo Carotti

      Version of Record online: 29 JUN 2009 | DOI: 10.1002/qsar.200960029

    6. Cl–π Interactions in Protein–Ligand Complexes (pages 869–873)

      Yumi N. Imai, Yoshihisa Inoue, Isao Nakanishi and Kazuo Kitaura

      Version of Record online: 8 JUN 2009 | DOI: 10.1002/qsar.200860168

    7. COSMO-RS as a Predictive Tool for Lipophilicity (pages 874–877)

      Carsten Wittekindt and Andreas Klamt

      Version of Record online: 22 JUN 2009 | DOI: 10.1002/qsar.200810175

    8. A Study of CDK2 Inhibitors Using a Novel 3D-QSAR Method Exploiting Receptor Flexibility (pages 878–884)

      Michael P. Mazanetz, Ian M. Withers, Charles A. Laughton and Peter M. Fischer

      Version of Record online: 29 JUN 2009 | DOI: 10.1002/qsar.200810177

  6. Abstracts

    1. Top of page
    2. Cover Picture
    3. Contents
    4. Editorial
    5. Full Papers
    6. Short Communications
    7. Abstracts

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