National Cancer Institute Drug Information System 3D database.
作者信息
Milne G W, Nicklaus M C, Driscoll J S, Wang S, Zaharevitz D
机构信息
Laboratory of Medicinal Chemistry, National Cancer Institute, National Institutes of Health, Bethesda, Maryland 20892-4255.
出版信息
J Chem Inf Comput Sci. 1994 Sep-Oct;34(5):1219-24. doi: 10.1021/ci00021a032.
PMID:7962217
Abstract
A searcheable database of three-dimensional structures has been developed from the chemistry database of the NCI Drug Information System (DIS), a file of about 450,000 primarily organic compounds which have been tested by NCI for anticancer activity. The DIS database is very similar in size and content to the proprietary databases used in the pharmaceutical industry; its development began in the 1950s; and this history led to a number of problems in the generation of 3D structures.
摘要
Zotero 插件