Abstract
This talk presents a method that predicts adverse side effects for molecules based on the chemical structure only. Also, targets for the compounds are predicted. Therefore it becomes possible to link a certain side effect to the interaction with a certain target through molecular space. Examples are given in the talk.
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Scheiber, J. Side effect profile prediction - Tackling Big Pharma's worst nightmare at an early stage. Nat Prec (2007). https://doi.org/10.1038/npre.2007.1239.1
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DOI: https://doi.org/10.1038/npre.2007.1239.1