![]() ![]() This is because many of the conditions devised for the manual or semi-manual synthesis are not uniformly recorded and there is no standard way of recording reaction informatics. Ed., 2021, 60, 19744-19749.Ī Universal Approach to Reaction Informatics: Today it is possible to design and synthesize many of the physically allowed molecules and materials conceivable if practical, yet paradoxically it is not possible to reproduce or rerun these successful procedures with high reliability. Chemically stabilized DNA barcodes for DNA-encoded chemistry. Screening of metal ions and organocatalysts on solid support-coupled DNA oligonucleotides guides design of DNA-encoded reactions. This tool shall support decision-making for encoded library design. His group develops a tool allowing for filtering relevant reactions from the reaction space and organizing the still impressive number of potentially useful reactions by clustering. However, chemical reaction space is vast, thus computer-assisted tools for reaction database mining are needed. DEL design raises the question of chemical reaction selection for accessing chemical and especially structural diversity. Professor of Chemistry & Chemical BiologyĭNA-encoded libraries (DELs) are a powerful technology for target-based small molecule screening.
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