Cover Picture

Cover Picture: (Mol. Inf. 1-2/2010) (p 1)

Published Online: Jan 26 2010 9:33AM
DOI: 10.1002/minf.201090001

	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. Schreiber 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.

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Graphical Abstract

Graphical Abstract: Mol. Inf. 1-2/2010 (p 3-6)

Published Online: Jan 26 2010 9:33AM
DOI: 10.1002/minf.201090002

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Editorial

Molecular Informatics - From Models to Molecules and Systems (p 9)
Knut Baumann, Gerhard F. Ecker, Jordi Mestres, Gisbert Schneider
Published Online: Jan 26 2010 9:33AM
DOI: 10.1002/minf.201000271

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Methods Corner

Drug-Target Networks (p 10-14)
Ingo Vogt, Jordi Mestres
Published Online: Jan 26 2010 9:33AM
DOI: 10.1002/minf.200900069

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Review

Transporter-Mediated Efflux Influences CNS Side Effects: ABCB1, from Antitarget to Target (p 16-26)
Fabio Broccatelli, Emanuele Carosati, Gabriele Cruciani, Tudor I. Oprea
Published Online: Jan 26 2010 9:33AM
DOI: 10.1002/minf.200900075

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Full Papers

Probing Small-Molecule Binding to the Liver-X Receptor: A Mixed-Model QSAR Study (p 27-36)
Morena Spreafico, Martin Smiesko, Ourania Peristera, Gianluca Rossato, Angelo Vedani
Published Online: Jan 26 2010 9:33AM
DOI: 10.1002/minf.200900064

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Structuring Chemical Space: Similarity-Based Characterization of the PubChem Database (p 37-49)
Giovanni Cincilla, Michael Thormann, Miquel Pons
Published Online: Jan 26 2010 9:33AM
DOI: 10.1002/minf.200900015

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Support Vector Machine (SVM) as Alternative Tool to Assign Acute Aquatic Toxicity Warning Labels to Chemicals (p 51-64)
Lisa Michielan, Luca Pireddu, Matteo Floris, Stefano Moro
Published Online: Jan 26 2010 9:33AM
DOI: 10.1002/minf.200900005

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Attractors in Sequence Space: Agent-Based Exploration of MHC I Binding Peptides (p 65-74)
Natalie Jäger, Joanna M. Wisniewska, Jan A. Hiss, Anja Freier, Florian O. Losch, Peter Walden, Paul Wrede, Gisbert Schneider 
Published Online: Jan 26 2010 9:33AM
DOI: 10.1002/minf.200900008

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Predicting Cyclooxygenase Inhibition by Three-Dimensional Pharmacophoric Profiling. Part I: Model Generation, Validation and Applicability in Ethnopharmacology (p 75-86)
Daniela Schuster, Birgit Waltenberger, Johannes Kirchmair, Simona Distinto, Patrick Markt, Hermann Stuppner, Judith M. Rollinger, Gerhard Wolber
Published Online: Jan 26 2010 9:33AM
DOI: 10.1002/minf.200900071

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A Statistical Survey on the Binding Constants of Covalently Bound Protein-Ligand Complexes (p 87-96)
Xun Li, Zhihai Liu, Yan Li, Jie Li, Jiajie Li, Renxiao Wang
Published Online: Jan 26 2010 9:33AM
DOI: 10.1002/minf.200900003

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Using In Silico Tools in a Weight of Evidence Approach to Aid Toxicological Assessment (p 97-110)
Claire M. Ellison, Judith C. Madden, Philip Judson, Mark T. D. Cronin
Published Online: Jan 26 2010 9:33AM
DOI: 10.1002/minf.200900006

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Exhaustive Structure Generation for Inverse-QSPR/QSAR (p 111-125)
Tomoyuki Miyao, Masamoto Arakawa, Kimito Funatsu
Published Online: Jan 26 2010 9:33AM
DOI: 10.1002/minf.200900038

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Forecasting CYP2D6 and CYP3A4 Risk with a Global/Local Fusion Model of CYP450 Inhibition (p 127-141)
Todd Ewing, Miklos Feher
Published Online: Jan 26 2010 9:33AM
DOI: 10.1002/minf.200900040

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Indices

Authors and Keywords: Mol. Inf. 1-2/2010 (p 143)

Published Online: Jan 28 2010 9:15AM
DOI: 10.1002/minf.201090003

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Author Guidelines

Author Guidelines (p 145-150)

Published Online: Jan 26 2010 9:33AM
DOI: 10.1002/minf.201080001

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