CCL: PLS implementation?
- From: Yvonne Martin <yvonnecmartin]^[gmail.com>
- Subject: CCL: PLS implementation?
- Date: Sat, 21 Nov 2009 10:54:29 -0500
Try the SAMPLS program from QCPE.
On Wed, Nov 18, 2009 at 6:01 PM, Joe
Leonard jleonard42-$-gmail.com <owner-chemistry[-]ccl.net>
Sent to CCL by: Joe Leonard [jleonard42|gmail.com]
Folks, I would appreciate any pointers to PLS implementations that can handle
much larger number of X variables as compared to Y (to-be-fit) variables.
I recall that PLS was used in 3D QSAR applications because of its
stability in such cases, but it seems that individual implementations differ in
how this statement applies to them...
3D QSAR test sets w/ aligned compounds would also be of use - if people are
aware of such collections on-line. But the PLS engine(s) are my primary
search right now...
Thanks in advance!
I have fought a good fight,
I have finished my course,
I have kept the faith.
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