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Updated: Mar 16, 2026

Applying Cheminformatics to Develop a Structure Searchable Database of Analytical Methods
Published on: June 6, 2025
Solved and Unsolved Problems of Chemoinformatics
1Computer-Chemie-Centrum, University of Erlangen-Nuremberg, D-91052 Erlangen, Germany. johann.gasteiger@fau.de.
Abstract:
From humble beginnings in the Sixties chemoinformatics evolved into a scientific field of its own. Without the achievements of chemoinformatics the flood of information in chemistry would simply not be manageable and modern research in chemistry and related fields would be inconceivable. However, there are still a host of problems waiting for solutions to be found or to be improved. The impact of chemicals on human health and on the environment presents both challenges and concerns. Research in chemoinformatics could help in better understanding these topics and thus contribute to a better living.
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