Research for the Environment

Chemical Properties Estimation Software System

What is ChemProp?

ChemProp License Expiration?

Please note, obsolete ChemProp versions always expire after a certain deadline. Updates will be provided in time, so if your ChemProp installation is expired already, please update from the same source as your original version.

All versions 5.x are expired and removed from the download server already. 

Version 6.1 will expire on December 31, 2014.

New versions will be announced by a

News feed on ChemProp updates
The ChemProp feed is also available in German


References

Referencing in publications

According to the license agreement, ChemProp must currently be cited as follows:

UFZ Department of Ecological Chemistry 2014. ChemProp 6.1
http://www.ufz.de/index.php?en=6738

Database references

In addition, the use of some experimental data or datasets extracted from the ChemProp database for publication requires explicit citation or even a separate permission. Furthermore, any data extracted via ChemProp must not be re-published or propagated.

Please check the following link prior to publishing:

Further Information

Schüürmann G, Kühne R, Kleint F, Ebert R-U, Rothenbacher C, Herth P 1997.
A software system for automatic chemical property estimation from molecular structure.
In: Chen F, Schüürmann G (eds) Quantitative Structure-Activity Relationships in Environmental Sciences - VII.
1996, SETAC Press, Pensacola (FL), USA, pp.93-114.

License agreement download

The ChemProp OSIRIS edition and its successor versions are publicly available for free, based on bilateral license agreements. The license agreement can be downloaded here. It needs to be dated, signed, and stamped by an authorised person.

To simplify ChemProp licensing, licenses will normally not be granted to individual persons (even though this will be possible also), but to entire organisational units. Therefore, an annex to the license agreement defining the organisational unit is required in addition, with the same date, sign, and stamp, as the license agreement. Since the scope of the organisational unit requires our agreement, we strongly recommend to clarify this issue in advance, e.g. via email or phone.

Send both the agreement and the annex together by postal mail to

Helmholtz-Zentrum für Umweltforschung (UFZ)
Department Ökologische Chemie
Permoserstraße 15
04318 Leipzig, Germany

Please indicate "ChemProp license agreement" outside of the letter, and provide an email address to receive the access information.

Contacts to clarify the scope of the agreement in advance:

Dr. R. Kühne (ralph.kuehne@ufz.de; +49 341 235-1507)
Prof. Dr. G. Schüürmann (gerrit.schuurmann@ufz.de; +49 341 235-1262)

ChemProp license agreement (30.2 KB)

ChemProp license annex (15.4 KB)

Poster download

The ChemProp poster shown at the 6th SETAC World Congress
(presented 21 May 2012) can be downloaded here in pdf format. 


ChemProp.pdf (1 MB)

The usage is restricted to personal aims only. Any propagation is prohibited.


Department News

Doctoral defence

On Tuesday, 25 March 14Muhammad Rizwan Ashraf successfully defended his doctoral thesis.

Updated Software

ChemProp  

The current version is 6.1 (released on February 3 2014).
Be aware, older versions below 6.0 are expired already!

The change log is located here:

The license agreements as well as a poster about ChemProp (state of May 2012) are available for download:

Newest Publications

Ulrich et al. 2014. Linear solvation energy relationships as classifier in non-target analysis ...
J. Chromatogr. A

Rorije et al. 2013. The OSIRIS Weight of Evidence approach: ... skin sensitisation.
Regul. Toxicol. Pharm.

Tluczkiewicz et al. 2013. The OSIRIS Weight of Evidence approach: ... repeated-dose toxicity (RepDose ITS).
Regul. Toxicol. Pharm.

Buist et al. 2013. The OSIRIS Weight of Evidence approach: ITS mutagenicity and ITS carcinogenicity
Regul. Toxicol. Pharm.

Mueller et al. 2013. Individual and combined effects of mycotoxins ...
Toxicol. in Vitro

Nendza et al. 2013. A comparative survey of chemistry-driven in silico methods...
Regul. Toxicol. Pharm.

The complete list is available on the

News Feeds

Scheduled public department events, new ChemProp versions and new publications will be announced via news feeds.


Events

ChemProp

Publications

Top 3