Chemical Data Mining of the NCI Human Tumor Cell Line Database

The NCI Developmental Therapeutics Program Human Tumor cell line data set is a publicly available database that contains cellular assay screening data for over 40 000 compounds tested in 60 human tumor cell lines. The database also contains microarray assay gene expression data for the cell lines, a...

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Bibliographic Details
Published in:Journal of chemical information and modeling 2007-11, Vol.47 (6), p.2063-2076
Main Authors: Wang, Huijun, Klinginsmith, Jonathan, Dong, Xiao, Lee, Adam C, Guha, Rajarshi, Wu, Yuqing, Crippen, Gordon M, Wild, David J
Format: Article
Language:English
Subjects:
Antineoplastic Agents - chemistry
Antineoplastic Agents - pharmacology
Cell Line, Tumor
Cell Proliferation - drug effects
Cells
Databases, Factual
Drug Evaluation, Preclinical
Gene Expression Regulation, Neoplastic - drug effects
Humans
Molecular Structure
National Cancer Institute (U.S.)
Neoplasms - pathology
Taxonomy
Tumors
United States
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Summary:The NCI Developmental Therapeutics Program Human Tumor cell line data set is a publicly available database that contains cellular assay screening data for over 40 000 compounds tested in 60 human tumor cell lines. The database also contains microarray assay gene expression data for the cell lines, and so it provides an excellent information resource particularly for testing data mining methods that bridge chemical, biological, and genomic information. In this paper we describe a formal knowledge discovery approach to characterizing and data mining this set and report the results of some of our initial experiments in mining the set from a chemoinformatics perspective.
ISSN:1549-9596
1549-960X
DOI:10.1021/ci700141x