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NPBS 数据库:一个包含天然产物和生物源之间关系型数据的化学数据资源。

NPBS database: a chemical data resource with relational data between natural products and biological sources.

机构信息

Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, 345 LingLing Road, Shanghai 200032, China.

出版信息

Database (Oxford). 2020 Dec 11;2020. doi: 10.1093/database/baaa102.

Abstract

NPBS (Natural Products & Biological Sources) database is a chemical data resource with relational data between natural products and biological sources, manually curated from literatures of natural product researches. The relational data link a specific species and all the natural products derived from it and contrarily link a specific natural product and all the biological sources. The biological sources cover diverse species of plant, bacterial, fungal and marine organisms; the natural molecules have proper chemical structure data and computable molecular properties and all the relational data have corresponding references. NPBS database provides a wider choice of biological sources and can be used for dereplication to prevent re-isolation and re-characterization of already known natural products. Database URL: http://www.organchem.csdb.cn/scdb/NPBS.

摘要

NPBS(天然产物和生物资源)数据库是一个化学数据资源,其中包含天然产物和生物资源之间的关系数据,这些数据是从天然产物研究文献中人工整理出来的。关系数据将特定的物种与其所有衍生的天然产物联系起来,反之亦然,将特定的天然产物与其所有的生物资源联系起来。生物资源涵盖了植物、细菌、真菌和海洋生物等多种物种;天然分子具有适当的化学结构数据和可计算的分子性质,所有的关系数据都有相应的参考文献。NPBS 数据库提供了更多的生物资源选择,可以用于去重,以防止已经知道的天然产物被重新分离和重新表征。数据库网址:http://www.organchem.csdb.cn/scdb/NPBS。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b324/7731925/8e4993d3a032/baaa102f1.jpg

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