How to add the considertautomerization in logD calculation

User 981716be90

28-06-2011 14:46:03

I want to use the option "consider tautomerization" for logD calculation.  I used "--considertautomerization" in cxcalc for batch calculation, but it did not work.  In malvin Sketch it works for single compound.  

User 851ac690a0

01-07-2011 14:35:28


Yes ,you are right. There is any problem with the "considertautomerization" option in batch mode.

We investigate what can be done and fix it. 


ChemAxon d51151248d

18-01-2016 12:57:21


Sorry for re-opening this issue, but it was fixed long ago. The tautomerization during cxcalc logD calculations works correctly.