Free CADD software release: XLOGP v2.0

[Gao Ying <gao ^at^ csb0.IPC.PKU.EDU.CN>]

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 gao ^at^ ipc.pku.edu.cn.
   Please forward this mail to anyone who may concern.
   With best wishes,
   Molecular Design Laboratory, Institute of Physical Chemistry
   Peking University, Beijing, China