From chemistry-request ^%at%^ ccl.net Fri Nov 19 11:44:35 2004
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Date: Sat, 20 Nov 2004 00:58:35 +0800 (CST)
From: Jinsong Zhao <zh_jinsong)at(yahoo.com.cn>
Subject: CCL: block unscaled weigths (BUW)
To: CCL <chemistry)at(ccl.net>
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Dear all,

Block unscaled weigths (BUW) is a chemometrics way used to pretreat
data blocks obtained from GRID or other grid/CoMFA like ways. It's
useful in establishing a good QSAR model. It has been implemented in
GOLPE, and firstly introduced in J. Med. Chem. 2000, 43, 3033-3044. 

I am very interested in BUW, for I am doing something with the data
block obtained from GRID. However, I can not afford GOLPE, I have to
implement this method in my own way. But, I can not find a algorithm to
implement BUW, even can not find a detail description.

Does anyone here have experience with such method? Any suggestion
and/or comments will be really appreciated.

Thank you very much for your kindly consideration on this matter.

Best wishes,
Jinsong

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