Johnny Gasteiger
has asked me to post this message. Abstracts should be submitted through OASYS
well before November 23.
Wendy
Dr. Wendy A. Warr
Wendy Warr & Associates
Tel./fax +44 (0)1477 533837
wendy@warr.com http://www.warr.com
Symposium
on de novo design and synthetic accessibility
at
the ACS Meeting in
Several
inroads have been made to the design of novel molecules as
potential
leads for new drugs. These methods may be either based on a
knowledge of
the 3D structure of the target protein and its binding
pocket or
may rest on an analysis of a series of ligands of the
protein.
The
molecules thus designed have quite different complexity and thus an
estimate on
how easy - or difficult - their synthesis might be is of
paramount
importance for the medicinal chemist. The symposium intends to
show
the present state of affairs both in the de novo design of lead
structures and
in methods for estimating the synthetic accessibility of
organic
structures.
If
you are interested in presenting a contribution to this symposium
please contact
Johnny Gasteiger
Computer-Chemie-Centrum
University Erlangen-Nuremberg
Naegelsbachstr. 25
91052 Erlangen
Germany
Gasteiger@chemie.uni-erlangen.de