Identification of structural features in chemicals associated with cancer drug response: a systematic data-driven analysis.

ABSTRACT:

Motivation

Analysis of relationships of drug structure to biological response is key to understanding off-target and unexpected drug effects, and for developing hypotheses on how to tailor drug therapies. New methods are required for integrated analyses of a large number of chemical features of drugs against the corresponding genome-wide responses of multiple cell models.

Results

In this article, we present the first comprehensive multi-set analysis on how the chemical structure of drugs impacts on genome-wide gene expression across several cancer cell lines [Connectivity Map (CMap) database]. The task is formulated as searching for drug response components across multiple cancers to reveal shared effects of drugs and the chemical features that may be responsible. The compon

SUBMITTER: Khan SA 

PROVIDER: S-EPMC4147909 | biostudies-literature | 2014 Sep

REPOSITORIES: biostudies-literature