Department of Chemical and Biological Engineering, The Hong Kong University of Science and Technology, Clear Water Bay, Hong Kong.
Department of Electrical and Computer Engineering, The Hong Kong University of Science and Technology, Clear Water Bay, Hong Kong.
Nat Commun. 2023 Oct 7;14(1):6267. doi: 10.1038/s41467-023-42006-x.
In proteomics, spectral archives organize the enormous amounts of publicly available peptide tandem mass spectra by similarity, offering opportunities for error correction and novel discoveries. Here we adapt an indexing algorithm developed by Facebook for organizing online multimedia resources to tandem mass spectra and achieve practically instantaneous retrieval and clustering of approximate nearest neighbors in a large spectral archive. An interactive web-based graphical user interface enables the user to view a query spectrum in its clustered neighborhood, which facilitates contextual validation of peptide identifications and exploration of the dark proteome.
在蛋白质组学中，谱库通过相似性组织大量公开的肽串联质谱，为错误校正和新发现提供了机会。在这里，我们改编了 Facebook 开发的一种索引算法，用于组织在线多媒体资源到串联质谱，并在大型谱库中实现近似最近邻的几乎即时检索和聚类。一个基于网络的交互式图形用户界面使用户能够在其聚类的邻域中查看查询光谱，这有助于对肽鉴定进行上下文验证，并探索暗蛋白质组。
