User 08668b3d07

25-01-2013 07:31:38

Hi ChenAxon support

I am using InstantJChem to handle large combinatorial libraries and I'm interested in simple over-all calculations on Mw, TPSA etc. How can I calculate mean, average, etc. on a large dataset (+2mio structures)? Export to Excel is not possible or very impractical. Is it possible to make a form view that calculates these macroscopic numbers? Cheers, Lars

ChemAxon 2bdd02d1e5

25-01-2013 07:54:17

User 08668b3d07

25-01-2013 09:50:52

Hi Filip

Thanks for the quick response. I do have the license required to calculate the Chemical Terms that I need. It was a simple matter of calculating average within IJC - The Math plugin did the job. Hardest part was to find where it was added in the menu - maybe not the first choice to look in the Help menu?

An idea may be to add a new item in the form view design (analogous to charts, tables, etc.) that computes statistical values for the selected records or the whole set?

Cheers

Lars

ChemAxon 2bdd02d1e5

29-01-2013 11:11:02

Hi Lars,

thanks for your feedback. I admin that the help menu was not probably the best choice to place the plugin functionality item.

About placing new statistical widgets to form. It's an interesting idea, it would certainly need some extra development. I will make a note for evaluation of possible enhancements.

Cheers,

Filip