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!!! 5
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%head
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%title= "PubChem read across"
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:javascript
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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, smiles structure, etc and press "Search" to obtain search results and predictions. |
The system will search the <a href="http://pubchem.ncbi.nlm.nih.gov/">PubChem</a> 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.
%br
%br
The results page is organized according to the following dimensions:
%dl
%dt
Gene/protein targets vs. other assays:
%dd
PubChem Assays with known Gene/Protein targets are listed in the first column, assays without known |
targets are in the "Other assays" column.
%br
%br
%dt
Active vs. inactive targets/assays:
%dd
Targets/assays with positive outcomes are listed as targets/active assays, negative outcomes are |
filed under non-targets/ inactive assays.
%br
%br
%dt
Experimental vs. read across:
%dd
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
%br
%br
%dt
Similar compounds
%dd
Detailed information about the compounds used for read across predictions (and their experimental data)
%br
<small>Source code for the project can be obtained from <a href="https://github.com/opentox/pubchem-read-across">Github</a></small>.
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= yield
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©
%a{:href => 'http://www.in-silico.ch', :rel => "external"} <i style="font-family: serife">in silico</i> toxicology gmbh 2013 - #{Time.now.year.to_s}
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|
