Subject: QSAR and Gov. approval

From: Beverly Bendiksen <[email-masked]>
Date: Thu, 8 Aug 96 10:03:27 -0000

I'm in search of experiences, both published and unpublished, successes 
or failures, of the use of QSAR to model data for new compounds that are 
being proposed for FDA approval.  For example, in my company we are 
seeking to reduce the time it takes to run extraction studies for paper 
processing chemicals for food-contact paper.  The FDA requires estimates 
of how much of the chemicals used to make paper might wind up in human 
tissue.  The extraction studies can take several weeks, yet alternative 
of mathematical estimates of worst case (all the compound leaches from 
paper to food to humans) are usually much too high, and overestimate 
potential toxic effects.  The use of FDA databases and QSAR molecular 
modeling poses a unique possibility, providing that the US government 
would be willing to accept a modeled result of this type.  Certainly, the 
model would need some verification, but this would still reduce 
experimental time.  

Replies will be summarized to the list.

bev

Beverly Bendiksen
[email-masked]
Pittsburgh, PA