Subject: Free CADD software release: XLOGP v2.0

From: Gao Ying <[email-masked]>
Date: Wed, 15 Sep 1999 10:59:37 -0700 (PDT)

Dear CCLers,

  We announce here that XLOGP v2.0 is now available. You can download it
free via anonymous FTP to ftp2.ipc.pku.edu.cn/pub/software/xlogp/. 

  XLOGP is an atom-additive method for calculating the octanol/water
partition coefficient(logP). It gives the logP value for a give compound
by summing the contributions from component atoms and correction factors. 

  In the current version of XLOGP, we have adopted a new atom
classification scheme to deal with carbon, nitrogen, oxygen, sulfur,
phosphorus, and halogen atoms. A new set of correction factors is also
introduced. Compared to the original version (v1.1), XLOGP v2.0 is more
robust and yields better statistical results. The comparison of various
logP calculation procedures demonstrates that XLOGP v2.0 gives much better
results than other atom-additive approaches and is at least comparable to
some popular fragmental approaches. Because of the simple methodology,
missing fragment problem does not occur to our method. 

  XLOGP v2.0 is written in C++ and has been tested on UNIX, LINUX, and DOS
platforms. 

  If you encounter any problem while downloading the program, please
contact Ms. Ying Gao at [email-masked]. 

  Please forward this mail to anyone who may concern. 

  With best wishes,

  Molecular Design Laboratory, Institute of Physical Chemistry
  Peking University, Beijing, China