pKa, logP, logD and metabolites prediction under Windows and Unix

e.zdeak at sc.bme.hu e.zdeak at sc.bme.hu
Tue Jan 23 16:18:58 EST 1996


PALLAS for WINDOWS predicting pKa, logP, logD values and metabolites

PALLAS is a collection of powerful tools for making predictions based 
on the structural formulae of compounds. It has a modular structure 
allowing to attach each prediction module separately to the system.

-  pKalc 3.1 predicts the pKa values of organic compounds.
-  PrologP 5.1 computer program predicts the logP values and
-  PrologD 2.0 the logD values of the compounds. It is based on the 
   pKa and logP prediction of the neutral form.
-  MetabolExpert 10.0 an expert advisory system for the prediction of 
   the metabolism of exogenous  compounds in plants and mammals.

UNIX version has an X-Window-based frame program and the modules can 
handle 47 different file formats as input and output file.

You can download the free demo version of PALLAS for Windows and the 
full UNIX version via ftp from:

ftp.osc.edu/pub/chemistry/software/MS-WINDOWS/PALLAS/pallas.zip
ftp.osc.edu/pub/chemistry/software/UNIX/PALLAS/cdrprogs2.01.irix.tar

For more information please check URL 
http://www.osc.edu/ccl/pallas.html or contact:

Zoltan Deak, e-mail: e.zdeak at sc.bme.hu





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