www.pudn.com > BPËã·¨Ô´Âë.zip > qsar.bp

* This program does (as backprop always does) a form of non-linear 
* regression.  The goal is to predict the reactivity of certain chemical 
* compounds given data about those compounds.  This particular data 
* comes from "1-(Substituted-benzyl) imidazone-2(3H)-thione Inhibitors 
* of Dopamine B-Hydroxylase", by Benjamin J. Burke and A. J. Hopfinger 
* in the Journal of Medicinal Chemistry 1990, volume 33, pages 274-281. 
* Oh, yes, QSAR stands for Quantitative Structure Activity Relationship. 
* 
* There are two data sets you can use.  The one in qsar.dat is the 
* original form of the data.  The one in qsar2.dat has been modified 
* so that the fifth input parameter has been divided by 10.  I haven't 
* done a complete investigation of both sets but the second one may 
* work a little better. 
* 
m 5 3 1 
f ir or 
 
a as aol dd uq 
qp e 0.1 m 1.5 d 0.0001 s- 
s 7 
ci 0.1 
t 0.5 
 
*rt qsar.dat 
rt qsar2.dat