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New Database Screening Criteria Improves Identification Of Anticancer Drugs

Date:
November 20, 2007
Source:
American Chemical Society
Summary:
Scientists have developed a better way of mining a vast computerized database for chemical nuggets that could become tomorrow's cancer medications. The new "data mining" method pinpoints chemical structures with drug-like activity. It could speed the identification and development of new, more effective drugs against breast, prostate, lung and other cancers.

Scientists in Indiana and Michigan have developed a better way of mining a vast computerized database for chemical nuggets that could become tomorrow's cancer medications.

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The new "data mining" method pinpoints chemical structures with drug-like activity. It could speed the identification and development of new, more effective drugs against breast, prostate, lung and other cancers.

Computers have become a mainstay in the drug discovery process and have led to the identification of dozens of promising anticancer drugs. However, as the amount and complexity of information increases, new analysis methods need to keep pace.

In the new report, David J. Wild and colleagues analyzed data from the National Cancer Institute Developmental Therapeutics Program, a database of 40,000 compounds that have been tested against 60 tumor cell lines. The researchers identified a set of common structural features that can be used to more accurately predict which compounds are most active against cancer cells.

In a series of experiments, they showed that applying these new criteria significantly increased the accuracy rate of identifying drug-like molecules in comparison to standard screening methods.

The journal article"Chemical Data Mining of the NCI Human Tumor Cell Line Database" is scheduled for publication in the Nov./Dec. issue of ACS' Journal of Chemical Information and Modeling.


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The above story is based on materials provided by American Chemical Society. Note: Materials may be edited for content and length.


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American Chemical Society. "New Database Screening Criteria Improves Identification Of Anticancer Drugs." ScienceDaily. ScienceDaily, 20 November 2007. <www.sciencedaily.com/releases/2007/11/071119111558.htm>.
American Chemical Society. (2007, November 20). New Database Screening Criteria Improves Identification Of Anticancer Drugs. ScienceDaily. Retrieved January 31, 2015 from www.sciencedaily.com/releases/2007/11/071119111558.htm
American Chemical Society. "New Database Screening Criteria Improves Identification Of Anticancer Drugs." ScienceDaily. www.sciencedaily.com/releases/2007/11/071119111558.htm (accessed January 31, 2015).

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