Exposome Correlation and Interpretation Database (ECID)

项目概要： 在人体内，小分子化学空间源自1）暴露体（天然的或合成的） 外源化合物）和代谢组（宿主和代谢途径的功能读数） 共生微生物基因组）。研究这个化学空间为启动提供了新的见解 癌症、神经系统、心血管和呼吸系统疾病的进展和生物标志物 接触工业化学品、营养物质、药物和生物活性内部分子。靶向生物监测 非靶向化学分析测定为暴露组学项目生成核心数据集，以研究 化学空间及其对人类健康的影响。在这些物质中普遍观察到化学间的相关性 核心数据集。然而，对这些相关性的解释仅限于代谢途径和 不涵盖暴露体之间的起源、来源、转化和相互作用的反应背景 化学品。我们建议开发暴露组相关性和解释数据库（ECID），这是一个新的 生物医学知识库，将系统地编目和管理化学间的相关性及其 暴露组学核心数据集的解释。 ECID 将拥有三个主要信息学资源 1) 化学关联数据库 (CCDB)，一个精心策划的、值得信赖且公平合规的数据库， 来自生物监测和非靶向化学分析测定的化学相关性（aim1）。在原型中 版本中，已包含 56 个数据集，到项目结束时，将包含超过 250 个数据集（仅限人类） 由 CCDB 涵盖。我们将整理在多项研究中观察到的化学间相关性。 2）暴露数据解释资源（EDIR），结构和功能的综合数据库 化学品之间的关系（目标 2）。目标 2 将利用文本挖掘、化学信息学、数据库融合、 本体论和化学网络映射方法创建功能和结构关系图集 在暴露的化学物质中。 EDIR 将用于注释精心策划的化学间相关性 合理的解释。 3) Exposome WorkSpace，一个探索 CCDB 和 EDIR 的在线空间 信息并解释用户提供的数据集（目标 3）。我们将重新设计已建立的数据 探索和分析方法，为探索相互之间提供一个综合的、有针对性的和相关的框架。 核心暴露组学数据集中的化学相关性。 ECID门户将提供自学教程和在线 暴露组学和代谢组学研究人员的数据探索工具。 ECID 将利用和补充 HHEAR 计划的数据中心、位于西奈山的目标和非目标实验室组件 暴露组学中心。我们将利用 HHEAR 研究（禁运后）作为验证研究来展示 ECID在暴露组研究中的应用ECID 将为扩大我们的业务做出重大贡献 通过揭示接触化学物质的情况来了解人体内的小分子化学空间 健康影响、新的代谢和外源转化途径以及暴露群体。

Project summary: In the human body, the small molecule chemical space originates from 1) the exposome( natural or synthetic exogenous compounds) and the metabolome (functional readout of metabolic pathways of host and commensal microbiota genomes). Studying this chemical space has provided new insights into the initiation and progression of cancer, neurological, cardiovascular and respiratory diseases and biomarkers for exposures to industrial chemicals, nutrients, drugs and bioactive internal molecules. Targeted biomonitoring and untargeted chemical analysis assays generate core datasets for exposomics projects to study the chemical space and its impact on human health. Inter-chemical correlations are ubiquitously observed in these core datasets. However, interpretation of these correlations has been limited to metabolic pathway and reaction contexts which do not cover the origin, source, transformation and interaction among exposome chemicals. We propose to develop the Exposome Correlation and Interpretation Database (ECID), a new biomedical knowledgebase that will systematically catalogue and curate inter-chemical correlations and their interpretation for the core datasets in exposomics. ECID will have three main informatics resources 1) Chemical Correlation Database (CCDB), a curated, trustworthy, and FAIR compliance database of inter- chemical correlations from biomonitoring and untargeted chemical analysis assays (aim1). In the prototype version, 56 datasets have been included and by end of the project, over 250 datasets (human-only) will be covered by the CCDB. We will curate the inter-chemical correlations that are observed across multiple studies. 2) Exposome Data Interpretation Resource (EDIR), an integrated database of structural and functional relationships among chemicals (aim 2). Aim 2 will utilize text mining, cheminformatics, database fusion, ontologies and chemical network mapping methods to create an atlas of functional and structural relationships among exposome chemicals. EDIR will be used for annotating curated inter-chemical correlations with plausible interpretations. and 3) Exposome WorkSpace, an online space to explore the CCDB and EDIR information and to interpret user-provided datasets (aim 3). We will re-engineer the established data exploration and analytics methods to provide an integrated, focused and relevant framework for exploring inter- chemical correlations in core exposomics datasets. ECID portal will provide self-guided tutorials and online data exploration tools for the exposomics and metabolomics researchers. ECID will leverage and complement the HHEAR program's data center, targeted and untargeted laboratory components at the Mount Sinai Exposomics Hub. We will utilize HHEAR studies (post-embargo) as validation studies to showcase the application of ECID in exposome research. ECID will make significant contributions towards expanding our understanding about small molecules chemical space within the human body by revealing exposure chemical's health effects, new metabolic and xenobiotic transformation pathways, and exposure groups.