Subject: Software predicting pKa, logP, logD, metabolites for WINDOWS and UNIX

From: DEAK Zoltan <[email-masked]>
Date: Mon, 18 Dec 1995 19:25:24 +0100 (MET)

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 meta-
  bolism 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 and the UNIX version from
ftp://ftp.ccl.net/pub/chemistry/software/MS-WINDOWS/PALLAS/pallas.zip
ftp://ftp.ccl.net/pub/chemistry/software/UNIX/PALLAS/cdrprogs1.0.irix5.2.tar.Z

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

Zoltan Deak, e-mail: [email-masked]