Is it possible to see the ct behind a chemical terms column

User 9b69444b5e

19-05-2008 06:38:30


I've created a number of ct-columns, mainly matchCount(SMARTS) and atomsCount() type of columns, for filtering of compound sets. Is it possible to:

a) See the ct behind the column somewhere after it has been created

b) re-use the ct columns in a new table, not having to enter the in full again

I guess maybe b is not possible through the GUI? If not, is it possible/adviceable to define a set of ct-columns on a structure table with a few structures and then add a lot of new structures to that table from a number of SD-files, and get the chemical terms calculated automatically for all new structures added? Or is it much faster to add all structures (a few million) and then calculate the ct-columns?

/Thanks, Micael

ChemAxon fa971619eb

19-05-2008 07:28:18

a). The chemical terms expression can be seen (and edited) using the schema editor. Double click on the schema node in the projects window to open the schem aeditor.

When you select the field its chemical terms expression is amongst the properties that are shown.

b). You cannot re-use a chemical terms expression - you need to enter it again into a new table.

You can however define all the chemical terms fields for an empty table and then import the data into it. This may be faster than adding the columns after the import, especially on multi-processor or multi-core machines as the calculations can be parallelised.


User 9b69444b5e

19-05-2008 08:18:19

Thank you!