Subject: CCL: column filtering of PLS

From: Jinsong Zhao <zh_jinsong-.at.-yahoo.com.cn>
Date: Mon, 31 May 2004 21:26:02 +0800 (CST)

Dear all,

When I do CoMFA, I have confused by the "column filtering" of PLS in
SYBYL. In the PLS analysis, according to the default settings, the
column filtering is ON for leave-on-out, and OFF for no validation. 

When I set the column filtering to ON for no validation, I got a
significant different result for relative contribution of steric and
electrostatic field. If it is set to ON, the steric/electrostatic is
0.325/0.675, if it is set to OFF, the steric/electrostatic is
0.646/0.354. Why?

Any suggestion or comment will be really appreciated. Thank you very
much in advance.

Best regards,
Jinsong

=====
(Mr.) Jinsong Zhao
Ph.D. Candidate
School of the Environment
Nanjing University
No.22 Hankou Road, Najing 210093
P.R. China
E-mail: zh_jinsong-.at.-yahoo.com.cn

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