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%h1 PubChem read across
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About this service
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%h3
Predict targets potentially affected by a given chemical structure.
Enter a chemical name and press "Search" to obtain search results and predictions. |
The system will search the PubChem database for |
(i) experimental data of the query compound and |
(ii) structurally similar compounds (neighbors) and their experimental data. |
Predictions for the query compound are derived from the neighbors experimental data using an automated |
read-across algorithm.
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The results page is organized according to the following dimensions:
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Gene/protein targets vs. other assays:
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PubChem Assays with known Gene/Protein targets are listed in the first column, assays without known |
targets are in the "Other assays" column.
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Active vs. inactive targets/assays:
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Targets/assays with positive outcomes are listed as targets/active assays, negative outcomes are |
filed under non-targets/ inactive assays.
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Experimental vs. read across:
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Experimental data for the query compound is labelled with "experimental", read-across predictions |
are labelled with "read across". In case of insufficient data no results will be displayed.i
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Similar compounds
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Detailed information about the compounds used for read across predictions (and their experimental data)
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Source code for the project can be obtained from Github .
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