Chemical Properties Estimation Software System


References

Referencing in publications

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

UFZ Department of Ecological Chemistry 2021. ChemProp 7.1.1
https://www.ufz.de/ecochem/chemprop

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:


ChemProp License/Version 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. If you do not have the current download access information available, just ask by email again.

Beginning with 7.0, the expiration date may be extended automatically when starting ChemProp while connected to the internet. In particular, it will not expire when no update is available. Even more, if expired after all, ChemProp 7.x will point to the download site and provide all necessary information for downloading and updating then.

The former version 6.7.1 is expired now, but will still work together with a ChemProp 7 installation.
The major update to 7.0 up to the version 7.1.1 will formally expire after July 2023.

The expiration only concerns the version, the license does not expire. The license agreement and the corresponding key keep valid even in case the version has been expired.



How to Obtain a ChemProp License

The ChemProp OSIRIS edition and its successor versions are publicly available for free, based on bilateral license agreements. The license agreement can be downloaded from the link below. 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 in particular cases), 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 to 

Ralf-Uwe Ebert
        ralf-uwe.ebert@ufz.de; +49
341 235 1504

Six Steps to Your ChemProp License

1. Download these two files

ChemProp license agreement (44 KB)

ChemProp license annex (15.4 KB)

2. Fill in the organisational unit in the annex file

3. Get both files dated, signed, and stamped by an authorised person

4. Provide an email address to receive the access information

5. Sent the documents via email to the address above

OR

5. Put the documents into a letter, indicate "ChemProp license agreement" outside of the letter, and send all together by postal mail to

Helmholtz-Zentrum für Umweltforschung - UFZ
Department Ökologische Chemie
Permoserstr. 15
04318 Leipzig, Germany


Credits and History

A large number of contributors were enganged in developing the ChemProp software and implementing estimation models. The former head of the department Prof. Dr. Gerrit Schüürmann and the senior scientist Dr. Ralph Kühne were mainly involved over many years of ChemProp development.


First Public Reference 1997

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.


Poster Presentation 2012

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

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