对生物活性化合物数据库的批判性评估
Daniela Quadros de Azevedo1, Beatriz Mattos Campioni1, Felipe Augusto Pedroz Lima1
1Departamento de Produtos Farmacêuticos, Faculdade de Farmácia, Universidade Federal de Minas Gerais, Campus Pampulha, Belo Horizonte, Minas Gerais, 31270-900, Brazil.
Future medicinal chemistry
|June 24, 2024
概括
本研究分析了对于药物发现至关重要的64个复合数据库 (DB),将其分类为开放式访问和商业类型. 关键的挑战包括数据标准化和这些重要资源的可持续融资.
科学领域:
- 化学信息学 化学信息学
- 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:
- 复合数据库 (DB) 是现代药物发现中的关键资源.
- 公有数据库的扩散需要对其特征进行全面分析.
- 了解可用数据库的风景,有助于研究人员选择合适的工具.
研究的目的:
- 介绍 64 个复合数据库的主要特征.
- 为了更好地分析,将这些数据库分为开放式访问和商业类型.
- 确定与复合DB的可用性和维护相关的挑战.
主要方法:
- 进行了文献搜索,以确定相关的化合物数据库.
- 识别的DBs被系统地审查以提取关键特征.
- 数据库被分为开放式访问 (通用,特定适用性,天然产品,特定药理作用) 和商业子部分.
主要成果:
- 该审查涵盖了64个复合数据库,详细说明了它们的主要特征.
- 开放访问数据库根据其内容和适用性进一步分类.
- 商业数据库也与开放访问对应数据库一起进行了分析.
结论:
- 维护和提供复合数据库的访问存在重大挑战.
- 标准化信息策划实践对于数据的一致性至关重要.
- 确保足够的资金对于这些存储库的长期可持续性至关重要.
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