[QSAR] add correction layer to neural network

[List for Members of Cheminformatics and QSAR Society]

Dear Ines,

I think your question is more to MathLab forum

http://mathforum.org/kb/forum.jspa?forumID=80

About problem of overfitting/overtraining you can find some classical   
advices at http://www.faqs.org/faqs/ai-faq/neural-nets/part3/section-10.html 
  (and, in general I would recommend to read this FAQ completely).  
Bayesian regularization is one way, while classical early stopping  
using ensemble modeling is another one.

Best regards,
Igor Tetko

On May 24, 2008, at 2:45 AM, List for Members of Cheminformatics and  
QSAR Society wrote:

> Hi Ines,
>
> Do you mean a hidden layer?  What network architecture do you want?   
> Have you tried Bayesian regularization to prevent overtraining and  
> overfitting?
>
> 	-----Original Message-----
> 	From: qsar_society-bounces at ccl.net on behalf of List for Members of  
> Cheminformatics and QSAR Society
> 	Sent: Fri 5/23/2008 09:32
> 	To: qsar at qsar.org
> 	Cc:
> 	Subject: [QSAR] add correction layer to neural network
> 	
> 	
>
> 	Dear all,
> 	How can I add a correction layer to neural network in MATLAB  
> software?
> 	Any help would be greatly appreciated.
> 	Thanks in advance
> 	Best wishes
> 	Inas
> 	
> 	Send instant messages to your online friends http://uk.messenger.yahoo.com 
>  <http://uk.messenger.yahoo.com/>
> 	-------------- next part --------------
> 	An HTML attachment was scrubbed...
> 	URL: http://server.ccl.net/pipermail/qsar_society/attachments/20080522/ef71d236/attachment.html
> 	_______________________________________________
> 	QSAR_Society mailing list
> 	QSAR_Society at qsar.org
> 	http://server.ccl.net/mailman/listinfo/qsar_society
> 	
>
> -------------- next part --------------
> A non-text attachment was scrubbed...
> Name: not available
> Type: application/ms-tnef
> Size: 4578 bytes
> Desc: not available
> Url : http://server.ccl.net/pipermail/qsar_society/attachments/20080524/13a03952/attachment.bin
> _______________________________________________
> QSAR_Society mailing list
> QSAR_Society at qsar.org
> http://server.ccl.net/mailman/listinfo/qsar_society

Dr. Igor V. Tetko
Institute of Bioinformatics and Systems Biology
Helmholtz Zentrum München
German Research Center for  Environmental Health
Ingolstaedter Landstrasse 1,
D-85764 Neuherberg, Germany

Tel./Fax: +49-89-3187-3575/x85
e-mail: itetko at vcclab.org, itetko at gmail.com

http://www.vcclab.org -- Virtual Computational Chemistry Laboratory:
free on-line calculation of logP/S, CORINA/DRAGON indices, PLS, ASNN,  
PNN and etc.



-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://server.ccl.net/pipermail/qsar_society/attachments/20080526/a6882e53/attachment.html