Accelerating Discovery by Mining and Visualising Integrated Chemogenomics Data

项目名称：通过挖掘和可视化集成化学基因组学数据加速发现姓名：Mark Forster组织：先正达项目描述：该先正达和Rothamsted合作项目的重点是通过在现有软件工具包中添加“化学智能”来扩展Ondex数据集成工具包。这将提供增强的化学结构可视化能力，以及将（例如）内部和外部化学结构储存库的数据集链接在一起的能力。外部数据集将包括公共化学生物活性资源，如EMBL-EBI托管的ChEMBL资源。这将增强对内部化学结构信息的解释，提供基因和蛋白质公开信息的链接，使化学家和生物学家能够更深入地了解生物活性的机制。由于Ondex工具包是在开源许可下提供的，所有增强功能也将作为开源免费提供给科学界。这旨在推动新工具和功能的采用和吸收，并为开放式创新做出贡献。

Project Title: Accelerating Discovery by Mining and Visualising Integrated Chemogenomics DataName: Mark ForsterOrgaisation : SyngentaProject Description:This Syngenta and Rothamsted colaboration project, has a focus on extending the Ondex data integration toolkit byadding 'chemical intelligence' to the existing software toolkit. This will provide enhanced capabilities for chemicalstructure visualisation , and the ability to link together datasets of (for example) internal and external chemicalstructure repositories. External datasets will include public chemical bioactivity resources such as the ChEMBL resourcehosted at EMBL-EBI. This will enhance the interpretation of internal chemical structure information, providing links topublic information on genes and proteins, allowing chemists and biologists greater insight into the mechanisms of bioactivity.As the Ondex toolkit is available under an open source license, all enhancements will also be made freely availableto the scientific community as open source. This is intended to drive the adoption and uptake of the new tools andcapabilities and contribute to open innovation.