Web search and data mining of natural products and their bioactivities in PubChem

作     者：HAO Ming CHENG Tiejun WANG Yanli BRYANT H. Stephen 

作者机构：National Center for Biotechnology Information National Library of Medicine National Institutes of HealthBethesda MD 20894 USA 

出 版 物：《Science China Chemistry》 (中国科学（化学英文版）)

年 卷 期：2013年第56卷第10期

页      面：1424-1435页

核心收录：

学科分类：081203[工学-计算机应用技术] 08[工学] 0835[工学-软件工程] 0812[工学-计算机科学与技术（可授工学、理学学位）] 

基　　金：supported by the Intramural Research Program of the National Institutes of Health National Library of Medicine 

主　　题：natural products drug discovery PubChem public database data mining 

摘      要：Natural products,as major resources for drug discovery historically,are gaining more attentions recently due to the advancement in genomic sequencing and other technologies,which makes them attractive and amenable to drug candidate *** and mining the bioactivity information of natural products are extremely important for accelerating drug development process by reducing ***,a number of publicly accessible databases have been established to facilitate the access to the chemical biology data for small molecules including natural ***,it is imperative for scientists in related fields to exploit these resources in order to expedite their researches on natural products as drug leads/candidates for disease ***,as a public database,contains large amounts of natural products associated with bioactivity *** this review,we introduce the information system provided at PubChem,and systematically describe the applications for a set of PubChem web services for rapid data retrieval,analysis,and downloading of natural *** hope this work can serve as a starting point for the researchers to perform data mining on natural products using PubChem.