CCL: Another Pipeline Pilot Question: Loops



 Sent to CCL by: "Van Hoorn, Willem" [Willem.Van.Hoorn[*]pfizer.com]
 I presume you use the "Learn Good Molecules" component (Bayesian
 learning)? By default the 'Validate Models' option is turned on. This is
 a leave-one-out cross-validation, the results of which will be in the
 help text of the model component (which will be in your
 LearnedProperties tab if your model building was successful).
 In general, if you want a loop in Pipeline Pilot you will have to put
 whatever you want to be inside the loop in a subprotocol for which you
 have set the RunToCompletion to True.
 There is a download library on the Scitegic/Accelrys website:
 http://accelrys.org/pipelinepilot/index.html
 ________________________________
 > From: owner-chemistry{}ccl.net [mailto:owner-chemistry{}ccl.net]
 Sent: 07 February 2008 03:23
 To: Van Hoorn, Willem
 Subject: CCL: Another Pipeline Pilot Question: Loops
 Hi all,
 I was wondering if any one would be able to help me. I can not figure
 out how to "loop" over a PipeLine pilot protocol that I have written.
 I
 would like to run it a number of times and generate some statistics.
 I have written a protocol to build a model to classify drugs from
 non-drugs.
 It takes in  actives/inactives and splits them into a training and test
 set. The model is then build using the training set, and then validated
 on the test set.
 I am wondering if there is any way I can loop over this procedure, to
 turn it into a cross validation procedure?
 As an aside, does anybody know of a good resource for example PipeLine
 pilot protocols? This is all rather new to me!
 Thanks for any help :)
 Iain