Catalysis Gene Expression Profiling: Sequencing and Designing Catalysts
Catalysis Gene Expression Profiling: Sequencing and Designing Catalysts
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催化基因表达谱分析：测序和设计催化剂
DOI：
10.1021/acs.jpclett.1c02111
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发表时间：
2021
期刊：
影响因子：
--
通讯作者：
Takahashi Lauren
中科院分区：
文献类型：
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作者：
Takahashi Keisuke;Fujima Jun;Miyazato Itsuki;Nakanowatari Sunao;Fujiwara Aya;Nguyen Thanh Nhat;Taniike Toshiaki;Takahashi Lauren
催化剂的鉴定是一件困难的事情，因为催化活性涉及每种催化剂所具有的大量复杂特征。在这里，催化基因表达谱是根据高通量实验收集的催化剂数据中发现的独特特征提出的，作为表示催化剂的另一种方式。将构建的催化剂基因序列与层次聚类相结合，得到催化剂基因表达谱，其中使用自然语言处理来基于编辑距离识别相似的催化剂。此外，通过修饰催化剂基因来设计具有相似性质的催化剂，其中设计的催化剂被实验证实具有与其催化剂基因序列相关联的催化活性。因此，所提出的催化剂基因表达方法允许一种描述催化剂的新方法，该方法允许容易地识别催化剂和催化活性的相似性，同时使得能够基于操纵具有相似催化剂基因序列的催化剂的化学元素来设计新的催化剂。
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.