Rhea|生物化学反应数据集|代谢网络重建数据集

Rhea is a freely available and comprehensive resource of expert-curated biochemical reactions. It has been designed to provide a non-redundant set of chemical transformations for applications such as the functional annotation of enzymes, pathway inference and metabolic network reconstruction. There are three types of reaction participants (reactants and products): Small molecules, Rhea polymers, Generic compounds. All three types of reaction participants are linked to the ChEBI database (Chemical Entities of Biological Interest) which provides detailed information about structure, formula and charge. Rhea provides built-in validations that ensure both mass and charge balance of the reactions. We have populated the database with the reactions found in the enzyme classification (i.e. in the IntEnz and ENZYME databases), extending it with additional known reactions of biological interest. While the main focus of Rhea is enzyme-catalysed reactions, other biochemical reactions (including those that are often termed "spontaneous") also are included.

Rhea是一项免费且全面的专业编纂生物化学反应资源。其设计宗旨在于提供一套无冗余的化学转化集，适用于酶的功能注释、途径推断以及代谢网络重建等应用。反应参与者分为三种类型（反应物与产物）：小分子、Rhea聚合物、通用化合物。这三种类型的反应参与者均与ChEBI数据库（化学生物兴趣实体）相连接，该数据库提供了关于结构、化学式和电荷的详细信息。Rhea内置了验证机制，确保反应的质和电荷平衡。我们已将酶分类（即IntEnz和ENZYME数据库中的酶）中发现的反应填充至数据库中，并扩展了其中包含的生物学上已知的重要反应。尽管Rhea的主要关注点在于酶催化反应，但其他生物化学反应（包括通常被称为“自发的”反应）也被纳入其中。