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)

      Version of Record online: 18 DEC 2012 | DOI: 10.1002/minf.201290017

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      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
  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

      Version of Record online: 28 NOV 2012 | DOI: 10.1002/minf.201200090

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  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

      Version of Record online: 11 OCT 2012 | DOI: 10.1002/minf.201200065

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    2. Theoretical Analysis of Fas Ligand-Induced Apoptosis with an Ordinary Differential Equation Model (pages 793–807)

      Zhimin Shi, Yan Li, Zhihai Liu, Jun Mi and Renxiao Wang

      Version of Record online: 30 OCT 2012 | DOI: 10.1002/minf.201200044

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    3. Using Molecular Docking to Compare Toxicity of Reactive Chemicals to Freshwater and Marine Luminous Bacteria (pages 809–816)

      Ya Gao, Zhifen Lin, Rui Chen, Ting Wang, Shushen Liu, Zhifeng Yao and Daqiang Yin

      Version of Record online: 29 OCT 2012 | DOI: 10.1002/minf.201200060

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    4. 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

      Version of Record online: 19 NOV 2012 | DOI: 10.1002/minf.201200075

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    5. 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

      Version of Record online: 14 NOV 2012 | DOI: 10.1002/minf.201200078

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    6. Wine Compounds as a Source for HTS Screening Collections. A Feasibility Study (pages 847–855)

      Feng Zhu, Gerard Logan and Jóhannes Reynisson

      Version of Record online: 14 NOV 2012 | DOI: 10.1002/minf.201200103

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