MACE - Michigan Alliance:Cheminformatic Exploration(RMI)

MACE - 密歇根联盟：化学信息探索（RMI）

• 批准号: 7031128
• 负责人: Kerby Shedden
• 金额: $ 30.6万
• 依托单位: UNIVERSITY OF MICHIGAN AT ANN ARBOR
• 依托单位国家: 美国
• 财政年份: 2005
• 资助国家: 美国
• 起止时间: 2005-09-23 至 2007-07-31
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/7031128
• 关键词: biochemistry; biomedical facility; chemical registry /resource; chemical structure; cheminformatics; combinatorial chemistry; information retrieval; method development; physical chemical interaction; protein structure; small molecule

DESCRIPTION (provided by applicant): The Michigan Alliance for Cheminformatic Exploration (MACE) aims to play a leading role in developing tools and analysis methods for discovering biologically significant and therapeutically relevant compounds in the National Library of Medicine's (NLM's) PubChem database. PubChem will be the central repository for screening results obtained as part of the NIH Molecular Libraries Initiative (MLI). A major resource for interpreting and analyzing the data in PubChem will be a network of Exploratory Centers for Cheminformatics Research (ECCRs). As a NIH designated ECCR, MACE will provide a uniquely relevant perspective through its biology-centered approach to analysis, evaluating compounds in the context of three-dimensional structures of proteins encoded by the genome, the architecture of cellular biochemical networks, and the physicochemical parameters governing non-specific interactions between small molecules and cells. During the two-year funding period for this RFA, the MACE ECCR aims to establish strong ties among several Cheminformatics research components that are already well established within the University of Michigan, leveraging pre-existing organizational structure derived from the University's Bioinformatics Program. In the two year time frame we will deliver an integrated analysis toolset constructed from components that have already been developed in the co-investigators' laboratories, and we will plan and prepare a proposal for the forthcoming Cheminformatics P50 RFA.

描述（由申请人提供）：密歇根州化学探索联盟（MACE）旨在在开发工具和分析方法中发挥主要作用，以在国家医学图书馆（NLM's）PubChem数据库中发现具有生物学意义和治疗相关的化合物。 PubChem将是作为NIH分子文库计划（MLI）的一部分获得筛选结果的中央存储库。解释和分析PubChem数据的主要资源将是化学信息学研究（ECCR）探索性中心网络。作为NIH指定的ECCR，MACE将通过以生物学为中心的分析方法来提供独特的相关观点，并在基因组的三维结构中评估化合物，该化合物由基因组编码的三维结构，细胞生物化学网络的结构，物理化学参数以及与小细胞之间的非特定细胞之间的相互作用和小细胞之间的分类。在此RFA的两年资金期间，MACE ECCR的目的是在密歇根大学已经建立的几种化学信息学研究组件之间建立牢固的联系，并利用了从该大学的生物信息学计划衍生出的先前的组织结构。在两年的时间范围内，我们将提供一个综合分析工具集，该工具集是由已经在共同投资者实验室中已经开发的组件构建的，我们将计划和准备即将到来的化学形象P50 RFA的建议。