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Swiss Institute of Bioinformatics
SwissTargetPrediction
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This website allows you to estimate the most probable macromolecular targets of a small molecule, assumed as bioactive. The prediction is founded on a combination of 2D and 3D similarity with a library of 370'000 known actives on more than 3000 proteins from three different species.
The webtool is described in detail here: SwissTargetPrediction: updated data and new features for efficient prediction of protein targets of small molecules, Nucl. Acids Res. (2019). For technical information about the prediction algorithm, you can refer to: Shaping the interaction landscape of bioactive molecules, Bioinformatics (2013) 29:3073-3079.
The webtool is described in detail here: SwissTargetPrediction: updated data and new features for efficient prediction of protein targets of small molecules, Nucl. Acids Res. (2019). For technical information about the prediction algorithm, you can refer to: Shaping the interaction landscape of bioactive molecules, Bioinformatics (2013) 29:3073-3079.
