MONA

Overview

MONA is an interactive tool to prepare and visualize large small-molecule datasets. A set-centric workflow allows intuitively handling hundreds of thousands of molecules. The method builds upon the robust framework NAOMI.[1,2] Users can perform basic cheminformatics tasks such as analyzing, filtering, and converting molecular files with high efficiency.

[1] Urbaczek, S.; Kolodzik, A.; Fischer, J. R.; Lippert, T.; Heuser, S.; Groth, I.; Schulz-Gasch, T.; Rarey, M. NAOMI: On the Almost Trivial Task of Reading Molecules from Different File Formats. J Chem Inf Model 2011, 51 (12), 3199-3207. DOI: https://doi.org/10.1021/ci200324e
[2] Urbaczek, S.; Kolodzik, A.; Rarey, M. The Valence State Combination Model: A Generic Framework for Handling Tautomers and Protonation States. J Chem Inf Model 2014, 54 (3), 756-766. DOI: https://doi.org/10.1021/ci400724v

Usage

An introduction to the usage of MONA is provided at https://www.zbh.uni-hamburg.de/forschung/amd/software/mona/mona-doku.html.

Software Availability

MONA is freely available for non-commercial and academic users for Linux, MacOS, and Windows as part of our NAOMI ChemBio Suite. To download MONA, register at https://software.zbh.uni-hamburg.de. Non-academic users can get an evaluation license free of charge. Only minimal setup steps are required to run MONA. All feedback (software.zbh(at)uni-hamburg.de) is highly appreciated.

References

Hilbig, M.; Rarey, M. MONA 2: A Light Cheminformatics Platform for Interactive Compound Library Processing. J Chem Inf Model 2015, 55 (10), 2071-2078. DOI: https://doi.org/10.1021/acs.jcim.5b00292
Hilbig, M.; Urbaczek, S.; Groth, I.; Heuser, S.; Rarey, M. MONA - Interactive Manipulation of Molecule Collections. J Cheminform 2013, 5 (1), 38. DOI: https://doi.org/10.1186/1758-2946-5-38