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Comprehensive data-driven analysis of the impact of chemoinformatic structure on the genome-wide biological response profiles of cancer cells to 1159 drugs
2012
BMC Bioinformatics
Detailed and systematic understanding of the biological effects of millions of available compounds on living cells is a significant challenge. As most compounds impact multiple targets and pathways, traditional methods for analyzing structure-function relationships are not comprehensive enough. Therefore more advanced integrative models are needed for predicting biological effects elicited by specific chemical features. As a step towards creating such computational links we developed a
doi:10.1186/1471-2105-13-112
pmid:22646858
pmcid:PMC3532323
fatcat:tqmbzgnou5cmfdjby3v5lpgab4