药物银行6.0:2024年的药物银行知识库
Craig Knox1, Mike Wilson1, Christen M Klinger1
1OMx Personal Health Analytics, Inc., 700-10130 103 St NW, Edmonton, AB T5J 1B9, Canada.
Nucleic acids research
|November 12, 2023
概括
药物银行6.0数据库显著扩展了药物信息,包括FDA批准的药物增加了72%,药物相互作用增加了300%. 此版本通过新的数据和可视化来增强制药研究.
科学领域:
- 药理学 药理学是指药理学的学科.
- 药物发现 药物发现 药物发现
- 生物信息学是一种生物信息学.
背景情况:
- 药品银行是药品和制药信息的领先知识资源.
- 上一个版本于2018年更新.
- 该资源广泛用于生物医学研究和临床应用.
研究的目的:
- 详细介绍DrugBank知识库最新发布的6.0.0.版本中的重大改进和数据扩展.
- 突出研究人员可获得的药物数据的范围和深度增加.
- 展示新的功能和数据类型,改善药物发现和开发工作流程.
主要方法:
- 数据库的扩展和药物信息的整理.
- 整合新的数据类型,包括药物向相互作用,药物药物相互作用和药物食品相互作用.
- 包括路径可视化,光谱数据 (MS/MS,NMR) 和物理化学性质 (CCS,RT,RI).
主要成果:
- 美国食品和药物管理局批准的药物数量增加了72% (至4,563),研究药物数量增加了38% (至6,231).
- 药物相互作用增长了300% (至1,413,413),药物与食物相互作用增长了200% (至2475).
- 对于超过9400种小分子药物,新增了新的光谱和物理化学数据,以及扩展的途径信息.
结论:
- 药物银行 6.0 在药物信息资源的全面性和实用性方面取得了重大进展.
- 扩展的数据集和新功能满足了更广泛的科学学科,从药物化学到药理学.
- 这个更新的资源准备通过增强数据可访问性和详细性来加速药物发现和开发.
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