A Robust, Secure Framework to Effortlessly Bind Distributed Databases and Analysis Tools into Tightly Integrated Translational Drug Discovery Computational Platforms

一个强大、安全的框架,可以轻松地将分布式数据库和分析工具绑定到紧密集成的转化药物发现计算平台中

基本信息

  • 批准号:
    10685358
  • 负责人:
  • 金额:
    $ 85.49万
  • 依托单位:
  • 依托单位国家:
    美国
  • 项目类别:
  • 财政年份:
    2019
  • 资助国家:
    美国
  • 起止时间:
    2019-08-15 至 2024-07-31
  • 项目状态:
    已结题

项目摘要

PROJECT SUMMARY Collaborative Drug Discovery, Inc. (CDD) proposes to develop Cloud Workspaces for Drug Discovery – a novel informatics framework that will enable scientists engaged in drug discovery and translation to effort- lessly, robustly, and securely integrate disparate databases and computational tools distributed across multiple systems and vendors into highly-efficient, custom-tailored computational workflows. Our innovative technol- ogy will solve a critical problem that hinders drug discovery and translation efforts: scientists in this field typi- cally need to combine chemical and biological data from several sources, run them through multiple software packages that specialize in different types of analyses and visualization, then ideally store the results of the analyses together with their underlying experimental data. Today, this type of integration is difficult and expensive to accomplish and typically fragile, creating a large barrier to (i) exploiting the rapidly increasing number of high-quality public-access data repositories and (ii) evaluating promising new analytical tools and strategies. Monolithic platforms offer to solve this problem by bringing everything together under one roof, but they are extremely expensive and they limit flexibility: no single platform can offer every capability. The alter- native approach – stringing together discrete resources – evolved during the era of desktop computing and does not translate well to modern cloud-based workflows and in particular to the challenges of performing computationally intensive operations that require combining large datasets distributed across remote systems. Cloud Workspaces (CW) aims to combine the strengths and avoid the weaknesses of these two extremes. CW will in essence allow users to easily create their own individualized cloud-hosted solutions tailored to their unique requirements and workflows. Our approach offers the performance, robustness, and ease of use of a monolithic software solution, but without the associated inflexibility and vendor lock in. It offers the flexibility and openness of combining discrete resources, but without the associated integration challenges and fragility, and it advances the pipelining approach to embrace cloud-based models and to encompass distributed data resources without compromising performance or security. In Phase 1 we proved that we could robustly and efficiently synchronize biological and chemical data (transferring only new or modified data while retaining correct association of chemical identifiers) between the CW container environment and remote databases, which was a challenging but essential prerequisite for our concept. In Phase 2 we will complete development of CW and demonstrate its effectiveness with multiple real-world applications together with software application partners and beta customer end users. The market for the technology ranges from academics to small and medium size companies to the large pharmaceutical firms.
项目总结

项目成果

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BARRY A BUNIN其他文献

BARRY A BUNIN的其他文献

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{{ truncateString('BARRY A BUNIN', 18)}}的其他基金

Virtual Approaches to New Chemistries
新化学的虚拟方法
  • 批准号:
    10447249
  • 财政年份:
    2022
  • 资助金额:
    $ 85.49万
  • 项目类别:
Virtual Approaches to New Chemistries
新化学的虚拟方法
  • 批准号:
    10636882
  • 财政年份:
    2022
  • 资助金额:
    $ 85.49万
  • 项目类别:
Automated Molecular Identity Disambiguator (AutoMID)
自动分子身份消歧器 (AutoMID)
  • 批准号:
    10357906
  • 财政年份:
    2020
  • 资助金额:
    $ 85.49万
  • 项目类别:
Automated Molecular Identity Disambiguator (AutoMID)
自动分子身份消歧器 (AutoMID)
  • 批准号:
    10569639
  • 财政年份:
    2020
  • 资助金额:
    $ 85.49万
  • 项目类别:
Intelligent Chemical Structure Browser for Drug Discovery and Optimization
用于药物发现和优化的智能化学结构浏览器
  • 批准号:
    10241834
  • 财政年份:
    2019
  • 资助金额:
    $ 85.49万
  • 项目类别:
A Robust, Secure Framework to Effortlessly Bind Distributed Databases and Analysis Tools into Tightly Integrated Translational Drug Discovery Computational Platforms
一个强大、安全的框架,可以轻松地将分布式数据库和分析工具绑定到紧密集成的转化药物发现计算平台中
  • 批准号:
    10484172
  • 财政年份:
    2019
  • 资助金额:
    $ 85.49万
  • 项目类别:
Digital representation of chemical mixtures to aid drug discovery and formulation
化学混合物的数字表示以帮助药物发现和配制
  • 批准号:
    9902210
  • 财政年份:
    2019
  • 资助金额:
    $ 85.49万
  • 项目类别:
Intelligent Chemical Structure Browser for Drug Discovery and Optimization
用于药物发现和优化的智能化学结构浏览器
  • 批准号:
    10386918
  • 财政年份:
    2019
  • 资助金额:
    $ 85.49万
  • 项目类别:
Novel deep learning strategy to better predict pharmacological properties of candidate drugs and focus discovery efforts
新颖的深度学习策略可以更好地预测候选药物的药理学特性并集中发现工作
  • 批准号:
    10133177
  • 财政年份:
    2018
  • 资助金额:
    $ 85.49万
  • 项目类别:
Novel deep learning strategy to better predict pharmacological properties of candidate drugs and focus discovery efforts
新颖的深度学习策略可以更好地预测候选药物的药理学特性并集中发现工作
  • 批准号:
    10004481
  • 财政年份:
    2018
  • 资助金额:
    $ 85.49万
  • 项目类别:

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