Chemistry-wide association studies (CWAS) to determine joint toxicity effects of co-occurring chemical features

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Creator
  • Low, Yen
    • Affiliation: Eshelman School of Pharmacy
  • Sedykh, Alexander
    • Affiliation: Eshelman School of Pharmacy
  • Fourches, Denis
    • Affiliation: Eshelman School of Pharmacy
  • Tropsha, Alexander
    • Affiliation: Eshelman School of Pharmacy
Abstract
  • Individual structural alerts often fail to accurately predict chemical toxicity as they tend to overlook the moderating effects of other co-occurring alerts. Features are said to have statistical interaction effects when one changes or modulates the effect of another on the target property. Here we introduce Chemistry-Wide Association Study (CWAS; by analogy with GWAS in genomics) to systematically elicit the individual and interaction effects of chemical features on the target property.
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Resource type
  • Article
Rights statement
  • In Copyright
Rights holder
  • Yen Low et al.; licensee BioMed Central Ltd.
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Journal title
  • Journal of Cheminformatics
Journal volume
  • 6
Journal issue
  • Suppl 1
Page start
  • P15
Language
  • English
Is the article or chapter peer-reviewed?
  • Yes
ISSN
  • 1758-2946
Bibliographic citation
  • Journal of Cheminformatics. 2014 Mar 11;6(Suppl 1):P15
Publisher
  • Chemistry Central Ltd
Access right
  • Open Access
Date uploaded
  • August 26, 2015

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