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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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Consistency of endpoints #2

Closed tsufz closed 6 years ago

tsufz commented 6 years ago

Hi, The endpoints and their abbreviations in the field headers should be harmonised and well documented. This would be helpful for the automated processing of the output files.

One examples: AOH: LogOH, but AD_AOH.

The examples are maybe typos, but this part should be revised and harmonsed.

Yours Tobias

kmansouri commented 6 years ago

Thanks Tobias. I will add documentation clarifying the field headers. BTW, AD is the applicability domain.

tsufz commented 6 years ago

Hi Kamal, I think this was an missunderstanding. There is a typo in the AOH column names. LogOH should read LogAOH to be in line with the other column names and the endpoint. I know that AD is the applicability domain, but thanks for clarification.

Yours, Tobias

kmansouri commented 6 years ago

I see. It wasn't actually a typo as logOH is also commonly used but I agree with you about the consistency. Thanks for mentioning that!