Structure Search

eChemPortal offers searches on chemical identity by chemical reference number and name. eChemPortal is currently evaluating the value of integrating structure search directly into the site. Please send us your opinion. The OECD has another project, the OECD QSAR Toolbox for Grouping Chemicals into Categories.  In order to find information via eChemPortal for a chemical substance whose chemical name is unknown or to find information on chemical substances with a similar structure to a specific chemical, the OECD QSAR Toolbox may used.

The OECD QSAR Toolbox is a sophisticated downloadable software application, intended to be used in filling gaps in (eco)toxicity data needed for assessing the hazards of chemicals. The Toolbox incorporates information and tools from various sources into a logical workflow. One of the features of the Toolbox is the identification of chemicals that have the same structural characteristics.

In the OECD QSAR Toolbox, you may draw a molecule finding a specific chemical substance. Place your cursor over the field for CAS Number or chemical name and perform a right-click. Then select the option "Search by CAS in eChemPortal" or "Search in eChemPortal: <chemical name>". See the figures below. This link launches a query in eChemPortal.

For more information see: the OECD QSAR Toolbox










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