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logBB in InstantJChem
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Anna

Joined: 13 May 2009
Posts: 5

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Link to postPosted: Fri Jun 05, 2015 9:10 pmPost subject: logBB in InstantJChem Reply with quote

Hi,

I can calculate logBB using Marvin (under ADME calculations), but I can't seem to do this in InstantJChem as a new chemical term. I was also not able to google up any help on the subject, or find this calculation in the Marvin help.

 

Please let me know if this calculation is possible in InstantJChem, and how to write it!

Thanks,
Anna

Daniel
ChemAxon personnel
Joined: 22 Jan 2012
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Link to postPosted: Tue Jun 09, 2015 9:42 amPost subject: Reply with quote

Hi Anna, 

The logBB calculation is unfortunately not a supported calculation in the recent Marvin versions. Probably you use a version which still contains that functionality, but you should know that it isn't part of our calculation portfolio anymore. 

Also, it was never available as a Chemical Terms function, and therefore it was never available in Instant JChem.

Sorry for the inconvenience. We suggest you use your current or older version of Marvin for your logBB calculations. 

Daniel

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