Kellman Benjamin P, Zhang Yujie, Logomasini Emma, Meinhardt Eric, Godinez-Macias Karla P, Chiang Austin W T, Sorrentino James T, Liang Chenguang, Bao Bokan, Zhou Yusen, Akase Sachiko, Sogabe Isami, Kouka Thukaa, Winzeler Elizabeth A, Wilson Iain B H, Campbell Matthew P, Neelamegham Sriram, Krambeck Frederick J, Aoki-Kinoshita Kiyoko F, Lewis Nathan E
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Beilstein J Org Chem. 2020 Oct 27;16:2645-2662. doi: 10.3762/bjoc.16.215. eCollection 2020.
Systems glycobiology aims to provide models and analysis tools that account for the biosynthesis, regulation, and interactions with glycoconjugates. To facilitate these methods, there is a need for a clear glycan representation accessible to both computers and humans. Linear Code, a linearized and readily parsable glycan structure representation, is such a language. For this reason, Linear Code was adapted to represent reaction rules, but the syntax has drifted from its original description to accommodate new and originally unforeseen challenges. Here, we delineate the consensuses and inconsistencies that have arisen through this adaptation. We recommend options for a consensus-based extension of Linear Code that can be used for reaction rule specification going forward. Through this extension and specification of Linear Code to reaction rules, we aim to minimize inconsistent symbology thereby making glycan database queries easier. With a clear guide for generating reaction rule descriptions, glycan synthesis models will be more interoperable and reproducible thereby moving glycoinformatics closer to compliance with FAIR standards. Here, we present Linear Code for Reaction Rules (LiCoRR), version 1.0, an unambiguous representation for describing glycosylation reactions in both literature and code.
系统糖生物学旨在提供能够解释生物合成、调控以及与糖缀合物相互作用的模型和分析工具。为了推动这些方法的发展,需要一种计算机和人类都能理解的清晰聚糖表示法。线性编码(Linear Code),一种线性化且易于解析的聚糖结构表示法,就是这样一种语言。因此,线性编码被用于表示反应规则,但其语法已偏离最初的描述,以适应新出现的、原本未预料到的挑战。在这里,我们阐述了这种改编过程中出现的共识和不一致之处。我们推荐基于共识的线性编码扩展选项,可用于未来的反应规则规范。通过将线性编码扩展并规范为反应规则,我们旨在尽量减少符号表示的不一致性,从而使聚糖数据库查询更加容易。有了生成反应规则描述的清晰指南,聚糖合成模型将更具互操作性和可重复性,从而使糖信息学更接近符合FAIR标准。在这里,我们展示反应规则线性编码(LiCoRR)1.0版,这是一种用于在文献和代码中描述糖基化反应的明确表示法。