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Swiss Institute of Bioinformatics
SwissTargetPrediction
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This website allows you to predict the targets of a small molecule. Using a combination of 2D and 3D similarity measures, it compares the query molecule to a library of 280'000 compounds active on more than 2000 targets of 5 different organisms.
The webserver is described in detail in our article: SwissTargetPrediction: a webserver for target prediction of bioactive small molecules, Nucl. Acids Res. (2014). For technical information about the prediction algorithm, you can refer to this article: Shaping the interaction landscape of bioactive molecules, Bioinformatics (2013) 29:3073-3079.
The webserver is described in detail in our article: SwissTargetPrediction: a webserver for target prediction of bioactive small molecules, Nucl. Acids Res. (2014). For technical information about the prediction algorithm, you can refer to this article: Shaping the interaction landscape of bioactive molecules, Bioinformatics (2013) 29:3073-3079.