Screening Info/ChemInfo (Florida)

筛选信息/ChemInfo（佛罗里达）

• 批准号: 8332834
• 负责人: Stephan C Schurer
• 金额: $ 85.34万
• 依托单位: SCRIPPS RESEARCH INSTITUTE, THE
• 依托单位国家: 美国
• 财政年份: 2011
• 资助国家: 美国
• 起止时间: 2011-09-01 至 2014-05-31
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/8332834
• 关键词: Biological Assay; Chemicals; Data; Data Quality; Deposition; Development; Environment; Florida; Individual; Informatics; Knowledge; Libraries; Link; Metric; Mission; Phase; Policies; Procedures; Production; PubChem; Publishing; Research Infrastructure; Resources; Screening procedure; cheminformatics; data management; quality assurance; tool

SCREENING AND CHEMICAL INFORMATICS CORE: Screening Informatics: The key deliverables of the MLPCN are public data of high quality, published to PubChem, and supported chemical probe development. This mission requires two essential components, an Operational Environment for data management and quality assurance, and a Knowledge Environment facilitating efficient chemical probe optimization. The TSRI Center has these comprehensively on a production scale and will make key tools available broadly to maximize the impact of the MLPCN effort. We will also act quickly to implement policies and procedures recommended by the MLPCN steering committee. During MLSCN pilot phase, the informatics environment (described in Facilities and Other Resources), which is a critical and unifying link between La Jolla and Florida, has successfully managed assays on our institutional library, which exceeds 600,000 individual compounds, as well as >35 assays against the MLSMR 60-200K screening set. A metric of our current capabilities was the deposition of 80 assays with distinct AID's into PubChem. Automated submission to PubChem occurred within 5 +/- 4 days (mean/SD) of the completion of scientific Quality Assurance within the TSRI Center. The MLPCN mission will be supported by 3 Specific Aims for the Informatics Core: Aim 1: Maintain operational informatics infrastructure for MLPCN production phase. Aim 2: Knowledge Environment: Unlocking the efficiencies in probe development. Aim 3: Building the MLPC Network.

筛选和化学信息学核心： 筛选信息学：MLPCN的主要交付成果是高质量的公共数据， PubChem，并支持化学探针开发。这项使命需要两个基本组成部分， 数据管理和质量保证的业务环境以及知识环境 促进有效的化学探针优化。TSRI中心在一个生产上全面地拥有这些 扩大规模，并将广泛提供关键工具，以最大限度地发挥MLPCN工作的影响。我们也将采取行动 快速执行MLPCN指导委员会建议的政策和程序。期间 MLSCN试验阶段，信息学环境（在设施和其他资源中描述），这是一个 拉霍亚和佛罗里达之间的关键和统一的联系，已成功地管理我们的分析 机构库，其中超过600，000个单独的化合物，以及>35个针对MLSMR的测定 60- 200 K筛选设置。我们目前能力的一个衡量标准是沉积80种具有不同 艾滋病进入公共化学。自动提交至PubChem的时间为5 +/- 4天（平均值/SD） 在TSRI中心内完成科学质量保证。 MLPCN使命将由信息学核心的3个具体目标支持： 目标1：维护MLPCN生产阶段的业务信息基础设施。 目标2：知识环境：释放探针开发的效率。 目标3：建立MLPC网络。