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
