Small molecule handling
Handling data sets of small molecules in various file formats is a “day to day” routine task. Frequently, users trust scripts or other “black-box” approaches. But what if you want more? Mona is an interactive, free to academics tool that can be used to prepare and visualize small-molecule datasets.
Mona has been built from the well-known Naomi cheminformatic network that has been proven to be robust, accurate and extremely efficient. Mona facilitates loading molecule files stored in SDF, MOL2 or SMILES-format. It scans entire directories for molecule data, and provides 2D depictions of hundreds of thousands of molecules. You can filter your data sets based on physical-chemical properties, functional groups, and substructures, as well as remove duplicates. Set-operations such as union, intersection, sub-set splitting are available. Mona visualizes property distribution of the compounds. You can even combine Mona with our SMARTS tools.
For the benefit of interactive use, Mona has been equipped with a database back-end that allows for extremely efficient handling. Upon import, numerous physic-chemical properties are calculated and deposited in the database. For a million molecules this may take half an hour. However, once stored, you may close and re-open the database within a matter minutes - gaining instant access to all properties and high-quality 2D depictions.