Property Explorer is a free tool to predict physico-chemical and toxicological molecular properties, which need to be optimized when designing pharmaceutically active compounds. It was originally developed by T. Sander and used at Actelion Pharmaceutical Ltd. as integrated component of the compound registration system in the drug discovery department. As OSIRIS Property Explorer it was released to the public in 1999 on Actelion's web site to demonstrate the applicability of Java applets for real-time cheminformatics applications. This applet is also available on organic-chemistry.org and cheminformatics.ch. Early 2013 the algorithms for logP prediction and toxicity detection were improved. A calculation of the topological polar surface area (TPSA) and a name/smiles/CAS-No-to-structure functionality was added.
- DataWarrior updated to version 4.7.2 with fixes of copy/paste issue and SMILES import problem. January 2018
- DataWarrior upgraded to version 4.7.1 with new conformer viewer and reaction smiles support. December 2017
- DataWarrior upgraded to version 4.6.1 with various small improvements and fixes. August 2017
- DataWarrior upgraded to version 4.6.0 with new database plug-in interface. July 2017
- DataWarrior upgraded to version 4.5.1 with new fuzzy score, relocatable labels, improved graphical views, etc. March 2017.
- DataWarrior 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 upgraded to version 4.4.3 with Crystallography Open Database access, improved Flexophore, conformers, macros and much more. August 2016.
- DataWarrior 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 upgraded to version 4.1.1 with 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.