Catalysis Gene Expression Profiling: Sequencing and Designing Catalysts

Identification of catalysts is a difficult matter as catalytic activities involve a vast number of complex features that each catalyst possesses. Here, catalysis gene expression profiling is proposed from unique features discovered in catalyst data collected by high-throughput experiments as an alternative way of representing the catalysts. Combining constructed catalyst gene sequences with hierarchical clustering results in catalyst gene expression profiling where natural language processing is used to identify similar catalysts based on edit distance. In addition, catalysts with similar properties are designed by modifying catalyst genes where the designed catalysts are experimentally confirmed to have catalytic activities that are associated with their catalyst gene sequences. Thus, the proposed method of catalyst gene expressions allows for a novel way of describing catalysts that allows for similarities in catalysts and catalytic activity to be easily recognized while enabling the ability to design new catalysts based on manipulating chemical elements of catalysts with similar catalyst gene sequences.

Automated summary

This method introduces a new way of describing catalysts through catalyst gene expression profiling to identify similar catalysts and design new catalysts. By combining constructed catalyst gene sequences with hierarchical clustering, catalyst gene expression profiling enables the recognition of similarities in catalysts and catalytic activity, allowing for the design of new catalysts with experimentally confirmed catalytic activities associated with their catalyst gene sequences.