Informatics Core

信息核心 信息学核心将与行政和化学核心的领导层密切合作 并将由两个综合组成部分组成。第一个组件支持跟踪化合物、分析， 从筛选和综合中心提交给专业化学中心的筛选数据 中心以及在范德比尔特生成的化合物和ADME/DMPK数据。它还提供基础设施 并支持数据存储、检索、备份和数据恢复。第二部分提供支持 用于相似性搜索、化学信息学、结构引导探针设计，以优化SAR和计算机模拟 DMPK/ADME资源到我们建议的范德比尔特专业化学中心。以下具体目标 总结信息学核心的主要功能： AIM 1.使用商业和内部开发的软件工具，以支持跟踪和 化合物、分析和筛选数据的存档。 AIM 2.使用商业和内部开发的软件工具来支持相似性搜索， 化学信息学，结构导向探针设计，以优化SAR和计算机模拟DMPK/ADME 预测。 AIM 3.与化学中心合作，负责化合物的重叠责任 注册和化合物管理。

INFORMATICS CORE The Informatics Core will work closely with the leadership of the Administrative and Chemistry Cores and will consist of two integrated components. The first component supports tracking of compounds, assays, and screening data submitted to the Specialized Chemistry Center from Screening and Comprehensive Centers as well as compound and ADME/DMPK data generated at Vanderbilt. It also provides infrastructure and support for data storage, retrieval, backup, and recovery of data. The second component provides support for similarity searches, cheminformatics, structure-guided probe design to optimize SAR and in silico DMPK/ADME resources to our proposed Vanderbilt Specialized Chemistry Center. The following specific AIMs summarize the major functions of the Informatics Core: AIM 1. To employ commercial and in-house developed software tools to support the tracking and archiving of compounds, assays and screening data. AIM 2. To employ commercial and in-house developed software tools to support similarity searches, cheminformatics, structure-guided probe design to optimize SAR and in silico DMPK/ADME predictions. AIM 3. To collaborate with the Chemistry Core for the overlapping responsibility of compound registration and compound management.