Scientific Lectures in 2004
20.01.2004 Esteve, Barcelona, Spain
Molecules are like Humans - The Representation of Molecules in Drug Design
03.02.2004 Bayer HealthCare, Wuppertal, Germany
Chemoinformatics in Drug Design
09.02.2004 Dupont Agrochemicals, Stine-Haskell Research Center, Newark, DE, USA
The Representation of Chemical Structures for ADMET-Modeling
10.02.2004 Bristol-Myers-Squibb, Princeton, NJ, USA
Library Design and Reaction Predition
11.02.2004 Pfizer, San Diego, CA, USA
The Representation of Chemical Structures for ADMET-Modeling
12.02.2004 ADMET-1 Conference, San Diego, USA
Structure Representation for ADMET-Modeling
03.03.2004 2nd Joint HLRB and KONWIHR Workshop 2004, TU München, Germany
Computer Simulations of Enzyme Reaction Mechanisms
15-18.03.2004 Department of Biotechnology, Yonsei University, Seoul, Korea
Course of Chemoinformatics( four days, eight hours )
  • Historical Review, Representation of Chemical Structures
  • Representation of Chemical Reactions, Chemical Data, Methods for Data Analysis
  • Calculation of Properties, Descriptors for Chemical Structures
  • Applications; Property Prediciton, Structure Elucidation, Synthesis Design, Drug Design
19.03.2004 Department of Biotechnology, Yonsei University, Seoul, Korea
Industrial Applications of Chemoinformatics
27.03.2004 Abbott Laboratories, Abbott Park, IL, USA
Bridging the Gap between Medicinal Chemists and Chemoinformaticians:
Designing Synthesis with Assistance by the Computer
28.03.2004 American Chemical Society Meeting, Anaheim, CA, USA
CINF-Symposium: The Bigger Picture: Linking Bioinformatics to Chemoinformatics
Steric and Electronic Requirements of Enzyme Reactions
31.03.2004 American Chemical Society Meeting, Anaheim, CA, USA
COMP-Symposium: Computational Approaches to Problems in Environmental Chemistry
A Comprehensive Approach to Model the Mode of Toxic Action
05.05.2004 Department of Chemie und Biochemie, Universität Bern, Schweiz
What is Chemoinformatics?
13.05.2004 Analytica 2004, Müchen
Symposium "Measurement and Testing in 'Environmental Analysis"
Data Bases and Data Modeling
26.05.2004 Beilstein International Workshop, Schloss Korb, Eppan, Bozen, Italy
Multidimensional Explorations into Biochemical Pathways
30.07.2004 Institute of Bioorganic and Petroleum Chemistry, Kiev, Ukraine
Computer-Assisted Synthesis Design
27.09.2004 Danish University of Pharmaceutical Sciences, Copenhagen, Denmark
Course of Chemoinformatics
  • Introduction to Chemoinformatics (Overview, History)
  • Molecules are like Humans (Representation of Chemical Structures)
15.10.2004 Central South University, Changsha, China
The Central Role of Chemoinformatics
17.10.2004 International Conference of Chemometrics and Bioinformatics in Asia(CCBA-2004), Tongji University, Shanghai, China
A Global View of Chemoinformatics
18.10.2004 Shanghai Institute of Organic Chemistry, Shanghai, China
Computer-Assisted Synthesis Design and Reaction Prediction
21.10.2004 University of Science and Technology, Hefei, Anhui, China
The Central Role of Chemoinformatics
26.10.2004 BASF, Ludwigshafen, Germany
Die Zentrale Role der Chemoinformatik in Forschung und Entwicklung
15-29.11.2004 Université Louis Pasteur, Strasbourg, France
Course of Chemoinformatics
  • Introduction, Structure Representation
  • Reaction Representation, Data, Databases, Structure Searching
  • Data Calculation, Structure Descriptors, Data Analysis
  • Property Prediction, Structure Elucidation, Reaction and Synthesis Design
  • Drug Design
30.11.2004 Université Louis Pasteur, Strasbourg, France
The Central Role of Chemoinformatics
07.12.2004 New Horizons for Molecular Informatics, The Royal Society of Chemistry, Cambridge, UK
Explorations into Biochemical Pathways
13.12.2004 Statusseminar Chemische Biologie in Deutschland, ChemBioNet, DECHEMA, Frankfurt/Main, Germany
Was sagen uns kleine organische Moleküle?
16.12.2004 Advanced Computational Methods, Pfizer, Sandwich, UK
Neural Networks in Drug Research