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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.
MIT License
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Experimental results in Caco2_QR.csv #35

Closed mmagithub closed 1 year ago

mmagithub commented 1 year ago

Hi, For some datasets it is not quiet clear where is the experimental data field in the provided csv files, for example, in the Caco2_QR.csv, I can only find 'CalculatedLogPapp' which the file lacks the experimental endpoint, am I missing something here ?

kmansouri commented 1 year ago

you're right that the "CalculatedLogPapp" column is not clear. It is the experimental value but it was converted because it was in different units. We will change that in the next update. Thanks