Lecture of Prof. J. Gasteiger

Metabolic Pathways as a Reaction Database: Biochemical Pathways

What is a Chemical Reaction?

Poster

Atlas

Biochemical Pathways

Detail of Poster I (Citrate Cycle)

Reaction Mechanism from the Atlas

Complexity of Information

Biochemical Pathways

Information Content I

Information Content II

AttEd - User Interface

AttEd - Input of Molecule Data

AttEd - Input of Reaction Data

Modeling

Beyond ISIS Base / Host
XML-Database (University of Mannheim)

Graph Visualization Subsystem

Pathway Overview in Graphlet

Detailed Pathway in Graphlet

Part of the Citrate Cycle in Graphlet

Present Status of Data Input

Search Capabilities I

Substructure Search in ISISBase

Result I of Substructure Search

Result II of Substructure Search

Search Capabilities II

Biochemical Reactions

C-C Bond Formation

Standardized Structure Representation

3D Structure of Coenzyme A

Cross-Linking to Chemical Databases

Cross-Linking to Bioinformatics Databases

Where to go?

Organic Reactions - Biochemical Reactions

A Chemical Reaction

Architecture of the Kohonen Network

The Landscape of the Theilheimer Database

The Landscape of the BIOPATH Database

Reaction Prediction with EROS7

Reaction Prediction

Simulated Degradation of Atrazine in Soil

Pharmacokinetics

Irregular Uptake of a Drug

Acknowledgements