An updated MoKa package is immediately available for download. Several minor problems were found and fixed, so it is a recommended upgrade for all users.

For more information, be sure to check the full list of changes.

We would like to introduce MoKa for the pKa prediction of organic compounds.

25000 training pKa values. Accurate to 0.4 log units and customizable with your in-house data. MoKa lets you graphically profile your compounds, as well as normalize or enumerate a million compounds per hour. MoKa is the most advanced pKa prediction suite available today

Don't get caught using the wrong tautomer or protonation state again!

Take a look at MoKa

A new version of the SHOP programme is available. The version 2.0 introduces a new concept of scaffold search based on the complementarity with a receptor binding site. This version also includes a new virtual reaction utility, which allows building ad-hoc fragment databases in a very simple way. The speed of operation, the graphics interface and the memory management were also largely improved. More informations in the project page

An updated version of the Shop programme is available. This release fixes few issues related to error tracking and reporting; a sample database is also provided. Distribution packages for Linux and Windows are available from the download page.

We are proud to announce the immediate availability of a brand new software for scaffold hopping. Please, have a look at the main Shop page for more details. Distribution packages for Linux and Windows are available from the download page.