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.

Currently, versions up to 5.2.7 are expired already. ChemProp 5.2.8 will be expired after June 30, 2013.

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 2012. ChemProp 5.2.8
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

New Co-workers

We welcome the doctoral students Bilha Saina Chepchirchir from Kenia, Muhammad Umer Shafique from Pakistan, and Oscar Posada Ureta from Bilbao (Basque country, Spain).

Successful Promotions

Some dissertations supervised in our department have been finished. In 2010, Johannes Schwöbel and Alexander Böhme successfully defended their doctoral theses, followed by Nicole Dabitz-Gutsche, Anna Böhnhardt, Torsten Thalheim, and Haiying Yu in 2011, and in 2012 Max Nedden, Ulrike Blaschke, Li Ji,  Franziska Schramm, Rehab Mansour, and Stefanie Finsterbusch.

Updated Software

ChemProp  

The current version is 5.2.8 (released on Sepember 28 2012).
Be aware, versions up to 5.2.7 are expired now!

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

Online

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.

Printed

Vallejo et al. 2013.
Calibration and field test of the polar organic chemical integrative samplers ...
Water Res.

Kühne et al. 2013.
Read-across prediction of the acute toxicity ... Daphnia magna.
Mol. Inf.

Mulliner et al. 2013.
Model suite for predicting the aquatic toxicity of α,β-unsaturated esters ...
Mol. Inf.

Ji et al. 2013.
Model and mechanism: N-hydroxylation of primary aromatic amines by cytochrome P450.
Angew. Chem. Int. Edit.

Thaens et al. 2012.
Chemoassay screening of DNA-reactive mutagenicity with 4-(4-nitrobenzyl)pyridine ...
Chem. Res. Toxicol.

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