title: Chemical data mining of the NCI human tumor cell line database.
abstract: 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.
authors.affiliation: Indiana University School of Informatics and Chemical Informatics, and Cyberinfrastructure Collaboratory, 901 East Tenth Street, Bloomington, IN 47408, USA.
authors.forename: Huijun
authors.initials: H
authors.lastname: Wang
authors.forename: Jonathan
authors.initials: J
authors.lastname: Klinginsmith
authors.forename: Xiao
authors.initials: X
authors.lastname: Dong
authors.forename: Adam C
authors.initials: AC
authors.lastname: Lee
authors.forename: Rajarshi
authors.initials: R
authors.lastname: Guha
authors.forename: Yuqing
authors.initials: Y
authors.lastname: Wu
authors.forename: Gordon M
authors.initials: GM
authors.lastname: Crippen
authors.forename: David J
authors.initials: DJ
authors.lastname: Wild
mesh_terms: D000970:Antineoplastic Agents / Q000737:chemistry / Q000494:pharmacology; D045744:Cell Line, Tumor; D049109:Cell Proliferation / Q000187:drug effects; D016208:Databases, Factual; D004353:Drug Evaluation, Preclinical; D015972:Gene Expression Regulation, Neoplastic / Q000187:drug effects; D006801:Humans; D015394:Molecular Structure; D054547:National Cancer Institute (U.S.); D009369:Neoplasms / Q000473:pathology; D014481:United States
chemical_list: D000970:Antineoplastic Agents