Molecular Informatics

Cover image for Vol. 30 Issue 9

Special Issue: Charting Chemical Space: „Challenges and Opportunities for Artificial Intelligence and Machine Learning”

September 2011

Volume 30, Issue 9

Pages 749–826

  1. Cover Picture

    1. Top of page
    2. Cover Picture
    3. Editorial
    4. Graphical Abstract
    5. Communication
    6. Full Papers
    1. Cover Picture: (Mol. Inf. 9/2011) (page 749)

      Article first published online: 14 SEP 2011 | DOI: 10.1002/minf.201190015

      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. Editorial

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

    1. Top of page
    2. Cover Picture
    3. Editorial
    4. Graphical Abstract
    5. Communication
    6. Full Papers
    1. Graphical Abstract: Mol. Inf. 9/2011 (pages 753–755)

      Article first published online: 14 SEP 2011 | DOI: 10.1002/minf.201190016

  4. Communication

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

    1. Top of page
    2. Cover Picture
    3. Editorial
    4. Graphical Abstract
    5. Communication
    6. Full Papers
    1. Modeling Choices for Virtual Screening Hit Identification (pages 765–777)

      Charles Bergeron , Michael Krein, Gregory Moore , Curt M. Breneman and Kristin P. Bennett

      Article first published online: 17 AUG 2011 | DOI: 10.1002/minf.201100092

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    2. Target-Driven Subspace Mapping Methods and Their Applicability Domain Estimation (pages 779–789)

      Axel J. Soto, Gustavo E. Vazquez, Marc Strickert and Ignacio Ponzoni

      Article first published online: 3 AUG 2011 | DOI: 10.1002/minf.201100053

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    3. Probabilistic Substructure Mining From Small-Molecule Screens (pages 809–815)

      Sayan Ranu, Bradley T. Calhoun, Ambuj K. Singh and S. Joshua Swamidass

      Article first published online: 4 AUG 2011 | DOI: 10.1002/minf.201100058

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    4. Visual Interpretation of Kernel-Based Prediction Models (pages 817–826)

      Katja Hansen, David Baehrens, Timon Schroeter, Matthias Rupp  and Klaus-Robert Müller 

      Article first published online: 5 SEP 2011 | DOI: 10.1002/minf.201100059

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