QSAR - newsletter

CQSAR database:

For more than 40 years Prof. Hansch has been building a database of
Biological and Physico-Chemical QSARs, and it has been utilized by
dozens of
  academic, commercial drug and pesticide development groups. It
had only limited distribution in the past (being available only for
VAX/VMS)
but is now available cross-platform via a Web-browser interface. The
more
than 180,000 compounds in over 20,000 equations are searchable by
structure (via SMILES), by System, or by Action, and the resultant
equations show how the important parameters quantitatively relate the
measured activities. The scope of Bio-Byte's well-known CLOGP program
has been greatly enhanced by the addition of a file of Activity Types
and
has been re-named, Bio-Loom. Over 1,400 such different types (e.g.
Target
= ACE inhibitor; Result = antihypertensive) appear in over 25,000
entries
for over 54,000 structures. The measured activities and equations for
any
of the Bio-Loom search results showing hits in the QSAR database can
quickly be determined. A brief demonstration of this new integrated
version
of Bio-Loom with CQSAR database was made at the Euro QSAR-2004 in
Istanbul. More information and a free limited-time demonstration
license is
available at: www.biobyte.com"

Alka Kurup and Al Leo,
BioByte Corp.
Received on 2004-10-01 - 16:04 GMT