CCL: COMFA q² SUMMARY

Many thank's to all who help me and the CCL. Here is a summery of the answers I got. 
 "q-sq" is the same as "crossvalidated r-sq".  When you do a
 comfa run
 with crossvalidation (choose the leave-one-out radio button in the setup
 dialog box), the r-sq reported in the summary output is the
 crossvalidated r-sq.  You have to do a second run with the proper number
 of components and without crossvalidation to get the conventional r-sq.
 Steve Bowlus
 Seascape Learning, LLC (Tripos distributor)
 Sent to CCL by: "Barbault Florent"
 [florent.barbault(a)paris7.jussieu.fr]
When you do a cross-validation the r² in SYBYL represent the q². So you have to do a cross-validation analysis first, and if it is correct a non-cross-validation analysis. 
 Best regards
 
 Sent to CCL by: Prashanth Athri [athriprashanth!=!yahoo.com]
 Hi,
 On the Partial Least Squares Analysis dialog box:
 1. Click on the SAMPLS button and set the number of
 components to a value higher than what you would
 expect the dimensionality of your data to be. Then
 click on "Run PLS".
 2. A dialog informing you about SAMPLS pops up- click
 OK.
 3. On the terminal window, you will eventually see
 crossvalidated r-squared [alias q-squared]. The number
 of components you will choose for the final run will
 be the one for which the q-squared is the highest.
 Hope this helps.
 -Prashanth
 
 
 --- "Antoine FORTUNE
 Antoine.Fortune^_^ujf-grenoble.fr"
 <owner-chemistry!^!ccl.net> wrote:
 
 Sent to CCL by: Antoine FORTUNE [Antoine.Fortune-
 -ujf-grenoble.fr]
 Hi all,
 I'm working with sybyl MSS to do comfa study. As I
run a PLS, sybyl gives r² value in the report. Where / how can i get the q² value ? It's not in the report log. 
 Thank's
 Antoine
 
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