Molecular Informatics

Cover image for Vol. 31 Issue 11‐12

December 2012

Volume 31, Issue 11-12

Pages 757–894

  1. Cover Picture

    1. Top of page
    2. Cover Picture
    3. Graphical Abstract
    4. Methods Corner
    5. Communication
    6. Full Papers
    1. Cover Picture: (Mol. Inf. 11-12/2012) (page 757)

      Article first published online: 18 DEC 2012 | DOI: 10.1002/minf.201290017

      Thumbnail image of graphical abstract

      Molecular Informatics publishes research that will deepen our understanding about information storage and processing on the molecular level, signaling and regulation of biological and chemical systems including cellular systems and macromolecular assemblies, modeling of molecular interactions and networks, and the design of molecular modulators that exhibit desired biochemical and pharmacological effects. Various aspects of this transdisciplinary scientific area are depicted on the cover: Cells with their nuclei and membranes (image courtesy of Dr. A. Schreiner and E. Resch), models of receptor-ligand interactions, and an artistic representation of “biological information” as multiple bit-codes presented on a right-handed helix.

  2. Graphical Abstract

    1. Top of page
    2. Cover Picture
    3. Graphical Abstract
    4. Methods Corner
    5. Communication
    6. Full Papers
    1. Graphical Abstract: Mol. Inf. 11-12/2012 (pages 759–762)

      Article first published online: 18 DEC 2012 | DOI: 10.1002/minf.201290018

  3. Methods Corner

    1. Top of page
    2. Cover Picture
    3. Graphical Abstract
    4. Methods Corner
    5. Communication
    6. Full Papers
    1. Evolution of PLS for Modeling SAR and omics Data (pages 766–775)

      Kiyoshi Hasegawa and Kimito Funatsu

      Article first published online: 28 NOV 2012 | DOI: 10.1002/minf.201200090

      Thumbnail image of graphical abstract
  4. Communication

    1. Top of page
    2. Cover Picture
    3. Graphical Abstract
    4. Methods Corner
    5. Communication
    6. Full Papers
  5. Full Papers

    1. Top of page
    2. Cover Picture
    3. Graphical Abstract
    4. Methods Corner
    5. Communication
    6. Full Papers
    1. Prediction of Cytochrome P450 Profiles of Environmental Chemicals with QSAR Models Built from Drug-Like Molecules (pages 783–792)

      Hongmao Sun, Henrike Veith, Menghang Xia, Christopher P. Austin, Raymond R. Tice and Ruili Huang

      Article first published online: 11 OCT 2012 | DOI: 10.1002/minf.201200065

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    2. QSAR Modeling is not “Push a Button and Find a Correlation”: A Case Study of Toxicity of (Benzo-)triazoles on Algae (pages 817–835)

      Paola Gramatica, Stefano Cassani, Partha Pratim Roy, Simona Kovarich, Chun Wei Yap and Ester Papa

      Article first published online: 19 NOV 2012 | DOI: 10.1002/minf.201200075

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    3. Identifying Activity Cliff Generators of PPAR Ligands Using SAS Maps (pages 837–846)

      Oscar Méndez-Lucio, Jaime Pérez-Villanueva, Rafael Castillo and José L. Medina-Franco

      Article first published online: 14 NOV 2012 | DOI: 10.1002/minf.201200078

      Thumbnail image of graphical abstract

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