Hello,

I just realized by comparing some results from Open Filter and my Pipeline Pilot filter that the TPSA were different.

The main difference is the P and S contributions.
By default openeye, and also some authors in articles (Veber for the GSK rules for example) don't take into account the P and S. (or some website like http://www.molinspiration.com).

Edit: I found the option to add or remove S and P from the calculation in Pipeline Pilot.

Also you as "comp-chemists" what do you use to calculate the TPSA? (Do you consider the S and P contributions?) Thank you for your input.

Cheers,

Jérémy