PubChem Compound Summary for CID: XXXXX; (accessed 2020, December 1). Available from: https://pubchem.ncbi.nlm.nih.gov/compound/XXXXX. Google Scholar [75] T. Ishikawa, N. Matsunaga, H. Tawada, N. Kuroda, Y. Nakayama, Y. Ishibashi, M. Tomimoto, Y. Ikeda, Y. Tagawa, Y. Iizawa...
Retrieve compound information from pubchem CID
Compounds:当且仅当一个或多个物质记录包含可以标准化为相同化学结构的结构时,才会自动生成一个Compound record (CID)。例如,许多包含阿司匹林相同结构的化学药品供应商物质记录将被汇总到单个Compound record (CID)。Compound record成为可用于给定化学结构的所有PubChem信息的有用摘要。 BioAssays:数据源提交生物活性测试...
Compounds:当且仅当一个或多个物质记录包含可以标准化为相同化学结构的结构时,才会自动生成一个Compound record (CID)。例如,许多包含阿司匹林相同结构的化学药品供应商物质记录将被汇总到单个Compound record (CID)。Compound record成为可用于给定化学结构的所有PubChem信息的有用摘要。 BioAssays:数据源提交生物活性测试...
Bulk Download Bulk download enables users to download information on compounds en masse and only export the desired data fields for each compound. Needed are a list of UIDs (Unique Identifiers: CID for compounds, SID for sub- stances, and AID for BioAssay), which can be obtained through the...
[17] image format.} The reason for this choice is that PNG formatted images turned out to be smaller than GIF formatted images after standard processing. Table1shows the image size for PubChem Compound CID 2244 (aspirin) (http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=2244) ...
Each PubChem Compound (and Substance) record has a summary page as depicted in Figure2(http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=681for dopamine). When a 3-D conformer model can be produced for a compound record (or a depositor-provided 3-D coordinates for the substance ...
2.2 结构检索 登陆 PubChem 主页(http://pubchem.ncbi.nlm. nih.gov ), 该页面提供 BioAssay , Compound , Substance 3 个数据库的关键词检索入口,另外还有 Chemical structure search 和 BioActivity Analysis 2 个 链接.从 Chemical structure search 进入结构检索界 面.PubChem 结构检索提供 5 类检索方式,...
Structure-Activity Analysis tool can be used for subsequent analysis that further enables evaluation on the SAR and bioactivity profile of such analog series. Other entry points include NCBI Entrez ‘DocSum’reports for PubChem substance, compound and bioassay records, where the BioActivity Summary too...
(UIDs) to organize its records, the term “UID” is specifically reserved in the present study for any of AID, GI, and BSID (depending on the context) to represent the three contexts of bioactivity similarity, but not for CID (the unique identifier used in the PubChem Compound database)...