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 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
Hi,
Yes ,you are right. There is any problem with the "considertautomerization" option in batch mode.
We investigate what can be done and fix it.
Jozsi
ChemAxon d51151248d
18-01-2016 12:57:21
Hi,
Sorry for re-opening this issue, but it was fixed long ago. The tautomerization during cxcalc logD calculations works correctly.
Daniel