Author Guidelines

Molecular Informatics (succeeding the journal QSAR & Combinatorial Science from 2010 onward) 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 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, pharmacoand chemogenomics, computer-assisted screening strategies, as well as novel technologies for the de novo design of biologically active molecules. A purely theoretical study lacking any chemical, biochemical, pharmacological or biological application will be acceptable only when it complies with the most rigorous standards and presents research of outstanding novelty. Manuscripts describing the mere application of existing computational methods to a data set and conventional QSAR models will not be accepted. For QSAR/QSPR studies, please also refer to §5.2 and §5.3. Molecular structure and activity data of all studies must be fully disclosed (cf. §5.3). If not publicized otherwise, they should be made available as Supporting Information (cf. §5.4). Clinical studies will not be considered for publication.