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kmansouri / OPERA

Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy assessment for physicochemical properties, environmental fate and toxicological endpoints. ==================>Download the latest compiled version from the "releases" tab and run the executable installer.

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Standalone QSAR ready model

tsufz opened this issue · comments

commented

Hi @kmansouri, It would be great, if you could modify the OPERA UI such that it is possible to calculate QSAR ready smiles without selection of any model in order to use them for other purposes than Opera.

Txs,
Tobias

commented

Well its working on command line and thus not that important issue....