For predicting properties of a chemical compound just draw its structure and Property Explorer will start calculating properties as soon as a chemical structure is valid. Charges should be balanced and atom valances not exceeded. Nitro-groups, for instance, should be drawn with a positive charge on nitrogen and a negative on one of the oxygens with a single bond connecting these two atoms. For an explanation of the significance of a specific property and the calculation algorithm applied see the corresponding page below:
- DataWarrior was upgraded to version 4.5.1 with new fuzzy score, relocatable labels, improved graphical views, etc. March 2017.
- DataWarrior was upgraded to version 4.4.4 with improved conformers & 2D-coordinates, new 0-order bond type, COD-query for metal-organic compounds, fixes in combi-chem library creation, etc. November 2016.
- DataWarrior was upgraded to version 4.4.3 with Crystallography Open Database access, improved Flexophore, conformers, macros and much more. August 2016.
- DataWarrior was upgraded to version 4.2.2 with structure and target search on the ChEMBL database, structure search on Wikipedia, conformer generation, and much more. July 2015
- DataWarrior was upgraded to version 4.1.1, which includes macro support to automate workflows. January 2015.
- First public release of DataWarrior an interactive data analysis and visualization software with chemical intelligence, which was developed at Actelion Pharmaceuticals Ltd. June 2014.