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Inventor:
Xing; Li
Address:
Maryland Heights, MO
No. of patents:
1
Patents:












Patent Number Title Of Patent Date Issued
7006921 Method for accurately estimating pKa of molecules using atom type definitions and partial least February 28, 2006
A computer implemented software method enables the prediction of the pK.sub.a of an arbitrary molecule based upon a knowledge of the molecular structure of that molecule and a statistical analysis of the molecular structures of a group of molecules (training set) for which the pK.sub.a










 
 
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