Subject: 7th International Conference on Chemical Structures

From: "Bob Snyder, ICCS Program Chair" <noordwijkerhout +*+ comcast.net>
Date: Wed, 9 Feb 2005 19:20:49 -0800

Abstract Submission:
Abstracts are currently being accepted for the 7th International
Conference
on Chemical Structures to be held June 5-9, 2005 at the beautiful
Congress 
Center in Noordwijkerhout, The Netherlands.  Abstracts may be submitted 
online at
www.int-conf-chem-structures.org/html/abstract_submission.html.
 
Registration:
Registration is now open and may be initiated online  at 
www.int-conf-chem-structures.org/html/registration.html.  A discount of 
175 euro is provided for those registering prior to 15 March 2005.
 
Student Participation:
Students may take advantage of a discounted conference fee of 575 euro
with early registration and sharing a hotel room.  In addition, limited
student bursaries are available which can further reduce the conference
fee.  
For additional information see
www.int-conf-chem-structures.org/html/student_bursaries.html. 
 
Keynote Address:
Dr. Johnny Gasteiger will receive the CSA Trust Michael Lynch Award and 
deliver the keynote address "Chemoinformatics - 30 Years at
Noordwijkerhout"
 
Technical Program:
The main scientific program will be divided into five plenary sessions:
 
     Cheminformatics

        o  representation and searching of conformationally flexible
compounds 
        o  molecular similarity and diversity 
        o  library analysis and profiling 
        o  reaction databases and reaction retrieval 

     Structure-Activity and Structure-Property Prediction

        o  modeling of metabolic reactions / reaction networks 
        o  prediction of ADME/Tox properties 
        o  tautomers in QSAR and Docking 

     Structure-Based Drug Design and Virtual Screening

        o  protein flexibility and homology models in docking 
        o  integration of virtual and high-throughput screening 
        o  structure- and ligand-based de novo design techniques 
        o  improved chemical models and scoring functions 

     Analysis of Large Data Sets

        o  data mining of HTS data sets 
        o  analysis of large chemistry spaces 
        o  new/emerging methodologies 

     Bridging the Cheminformatics-Bioinformatics Gap

        o  target family based approaches to drug discovery 
        o  privileged scaffolds and library design 
        o  integrating chemical and biological data spaces 

Conference presentations will be published in a special issue of the 
peer-reviewed Journal of Chemical Information and Modeling (JCIM).

Posters can be submitted for any of the above and related areas, but we 
welcome contributions in any aspect of the computer handling of chemical

structure information, such as:

   o  representation and manipulation of organic and inorganic
compounds, 
      biomacromolecules and  polymers 
   o  new algorithms for searching and managing chemical structures 
      and reactions 
   o  3D databases and pharmacophore modeling 
   o  (automatic) structure elucidation 
   o  synthesis planning / synthetic accessibility estimation 
   o  combinatorial chemistry, diversity analysis 
   o  web technology and its effect on chemical information 
   o  electronic publishing 
   o  MM or QM/MM simulations

Please refer to the conference web site at 
www.int-conf-chem-structures.org/ for more information.

Bob Snyder, ICCS Program Chair
Markus Wagener, Vice Chair