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天然产物研究中开放知识管理的 LOTUS 计划。

The LOTUS initiative for open knowledge management in natural products research.

机构信息

School of Pharmaceutical Sciences, University of Geneva, Geneva, Switzerland.

Institute of Pharmaceutical Sciences of Western Switzerland, University of Geneva, Geneva, Switzerland.

出版信息

Elife. 2022 May 26;11:e70780. doi: 10.7554/eLife.70780.

Abstract

Contemporary bioinformatic and chemoinformatic capabilities hold promise to reshape knowledge management, analysis and interpretation of data in natural products research. Currently, reliance on a disparate set of non-standardized, insular, and specialized databases presents a series of challenges for data access, both within the discipline and for integration and interoperability between related fields. The fundamental elements of exchange are referenced structure-organism pairs that establish relationships between distinct molecular structures and the living organisms from which they were identified. Consolidating and sharing such information via an open platform has strong transformative potential for natural products research and beyond. This is the ultimate goal of the newly established LOTUS initiative, which has now completed the first steps toward the harmonization, curation, validation and open dissemination of 750,000+ referenced structure-organism pairs. LOTUS data is hosted on Wikidata and regularly mirrored on https://lotus.naturalproducts.net. Data sharing within the Wikidata framework broadens data access and interoperability, opening new possibilities for community curation and evolving publication models. Furthermore, embedding LOTUS data into the vast Wikidata knowledge graph will facilitate new biological and chemical insights. The LOTUS initiative represents an important advancement in the design and deployment of a comprehensive and collaborative natural products knowledge base.

摘要

当代生物信息学和化学信息学的能力有望重塑天然产物研究中的知识管理、数据分析和解释。目前,对一系列非标准化、孤立和专业化数据库的依赖,为数据访问带来了一系列挑战,无论是在学科内部,还是在相关领域之间的集成和互操作性方面。交换的基本要素是参考结构-生物体对,它们在不同的分子结构和从中鉴定出的生物体之间建立关系。通过开放平台对这些信息进行整合和共享,对天然产物研究及其它领域具有强大的变革潜力。这是新成立的 LOTUS 计划的最终目标,该计划现已完成协调、策展、验证和公开传播 75 万+参考结构-生物体对的第一步。LOTUS 数据托管在 Wikidata 上,并定期镜像到 https://lotus.naturalproducts.net。在 Wikidata 框架内共享数据可扩大数据访问和互操作性,为社区策展和不断发展的出版模式开辟新的可能性。此外,将 LOTUS 数据嵌入到庞大的 Wikidata 知识图谱中,将有助于产生新的生物学和化学见解。LOTUS 计划代表着设计和部署全面协作的天然产物知识库的重要进展。

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