Screening Info/ChemInfo (Florida)

筛选和化学信息学核心： 筛选信息学：MLPCN的关键交付成果是高质量的公开数据，发布到 PubChem，并支持化学探针的开发。这项任务需要两个基本组成部分，一个 数据管理和质量保证的业务环境和知识环境 促进高效的化学探针优化。TSRI中心正在制作这些全面的产品 并将广泛提供关键工具，以最大限度地发挥MLPCN努力的影响。我们还将采取行动 迅速落实MLPCN指导委员会建议的政策和程序。在.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 拉霍亚和佛罗里达州之间关键而统一的联系，成功地管理了我们 机构文库，超过600,000个化合物，以及针对MLSMR的35种化验 60-200K套筛查。我们目前的能力的一个衡量标准是80次化验的沉积， 援助进入PubChem了。自动提交到PubChem的时间为5+/-4天(平均值/标准差) 完成TSRI中心内的科学质量保证。 MLPCN的任务将得到信息学核心的3个具体目标的支持： 目标1：维护MLPCN生产阶段的业务信息学基础设施。 目标2：知识环境：提高探测器开发的效率。 目标3：建立多边贸易政策网络。

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.