The attached protocol adds the ability of leave-many-out validation in building a Bayesian model. It divides the input ligands into random groups or clusters, and leave one group/cluster out at a time as external test set (all the rest of data are used in building a Bayesian model). It is designed to complement the Create Bayesian Model protocol, as it does not actually create the model (validation only).

How to use:
(1) Discovery Studio 2.1 is required.
(2) Download the attached protocol. Remember where you saved them.
(3) Open Discovery Studio client.
(4) In the protocol explorer panel, right click the QSAR folder and select "Import..." to import the protocol.

This protocol will appear in the QSAR collection of protocols.