Hi Rajarshi,
> Nice interface.
Thanks!
> Does this have an API?
Yes, a REST API, as described here
http://coffer.informatik.uni-mainz.de/doc (The API is also compatible to
the OpenTox standard).
> Also are you storing structures that are submitted for prediction?
The query compounds are stored, but only for performance reasons and the
REST API. Why are you asking?
Regards,
Martin
Am 03.01.2017 um 15:16 schrieb Rajarshi Guha:
Nice interface. Does this have an API? Also are you storing structures
that are submitted for prediction?
On Tue, Jan 3, 2017 at 7:08 AM, Martin Gütlein <[email protected]
<mailto:[email protected]>> wrote:
Hi,
Based on the awesome CDK, we built a free QSAR web-service to predict
chemical compounds:
http://coffer.informatik.uni-mainz.de
<http://coffer.informatik.uni-mainz.de>
Please give it a try if you like.
Kind regards (and sorry for the shameless ad),
Martin Gütlein
P.S.: The corresponding paper can be found here:
http://jcheminf.springeropen.com/articles/10.1186/s13321-016-0173-z
<http://jcheminf.springeropen.com/articles/10.1186/s13321-016-0173-z>
--
Dr. Martin Gütlein
Phone:
+49 (0)6131 39 23336 <tel:%2B49%20%280%296131%2039%2023336> (office)
+49 (0)177 623 9499 <tel:%2B49%20%280%29177%20623%209499> (mobile)
Email:
[email protected] <mailto:[email protected]>
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Rajarshi Guha | http://blog.rguha.net
NIH Center for Advancing Translational Science
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