Molecular Informatics is a peer-reviewed, international forum for publication of high-quality, interdisciplinary research on all molecular aspects of bio/cheminformatics and computer-assisted molecular design. Molecular Informatics succeeded QSAR & Combinatorial Science in 2010.

Molecular Informatics presents methodological innovations that will lead to a deeper understanding of ligand-receptor interactions, macromolecular complexes, molecular networks, design concepts and processes that demonstrate how ideas and design concepts lead to molecules with a desired structure or function, preferably including experimental validation.

The journal's scope includes but is not limited to the fields of drug discovery and chemical biology, protein and nucleic acid engineering and design, the design of nanomolecular structures, strategies for modeling of macromolecular assemblies, molecular networks and systems, pharmaco- and chemogenomics, computer-assisted screening strategies, as well as novel technologies for the de novo design of biologically active molecules. As a unique feature Molecular Informatics publishes so-called "Methods Corner" review-type articles which feature important technological concepts and advances within the scope of the journal.

Editors-in-Chief
Knut Baumann      Prof. Dr. Knut Baumann
Technische Universität Braunschweig
Germany
E-mail: k.baumann@tu-braunschweig.de
Alexandre Varnek 
Prof. Dr. Alexandre Varnek (Editor-in-Chief)
CNRS-Université de Strasbourg
Strasbourg
France
 
E-mail:   varnek@unistra.fr
Associate Editors
Sourav Das    Dr. Sourav Das (Associate Editor)
Phone:   +1 901 595 4037
E-mail:   reach.sourav.das@gmail.com
Yoshihiro Yamanishi    Prof. Yoshihiro Yamanishi (Associate Editor)
Phone:   +81-92-642-6932
Fax: +81-92-642-6692
E-mail:   yamanishi@bioreg.kyushu-u.ac.jp
Senior Scientific Advisor
Gisbert Schneider Prof. Dr. Gisbert Schneider
Phone:   +41 44 633 73 27
E-mail:   gisbert@moleculardesign.ch
Editorial Advisory Board
(DE) Jürgen Bajorath, Universität Bonn
 
(DE) Karl-Heinz Baringhaus, Sanofi–Aventis, Frankfurt
 
(DE) Frank Böckler,, Universität Tübingen
 
(SE) Scott Boyer, AstraZeneca, Mölndal
 
(JP) J. B. Brown, Kyoto University
 
(JP) Hongming Chen, AstraZeneca, Gothenburg
 
(UK) Mark T. Cronin, Liverpool John Moores University
 
(JP) Kimito Funatsu, The University of Tokyo
 
(IT) Paola Gramatica, University of Insubria, Varese
 
(NL) Ad P. IJzerman, Universiteit Leiden
 
(CH) Greg Landrum, KNIME, Zürich
 
(IE) Thierry Langer, University of Vienna
 
(IE) David Lloyd, Trinity College Dublin
 
(AU) David Manallack, Monash University, Melbourne
 
(DK) Jonathan S. Mason, Lundbeck Research, Copenhagen
 
(IT) Stefano Moro, Università degli Studi di Padova
 
(US) Ingo Mügge, Böhringer Ingelheim, Ridgefield, CT
 
(JP) Yasushi Okuno, Kyoto University
 
(FR) Didier Rognan, Université de Strasbourg
 
(CH) Jean-Louis Raymond, Universität Bern
 
IL Hanoch Senderowitz, Bar-Ilan University
 
(DE) Igor V. Tetko, Helmholtz-Zentrum Neuherberg
 
(US) Alexander Tropsha, University of North Carolina, Chapel Hill
 
(DE) Igor V. Tetko, Helmholtz-Zentrum Neuherberg
 
(FR) Andrea Volkamer, Charité Universitätsmedizin Berlin
 
(US) Patrick Walters, Vertex Pharmaceuticals, Cambridge, MA
 
(CN) Renxiao Wang, Chinese Academy of Sciences, Shanghai
 
(AU) David Winkler, CSIRO, Clayton South, VIC
 
(DE) Gerhard Wolber, Freie Universität Berlin
 
(CN) Jianhua Yao, Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences
 
Founding Editors:
Prof. Dr. Knut Baumann, Prof. Dr. Gisbert Schneider