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Prediction of Promiscuity Cliffs Using Machine Learning

Compounds with the ability to interact with multiple targets, also called promiscuous compounds, provide the basis for polypharmacological drug discovery. In recent years, a plethora of structural analogs with different promiscuity has been identified. Nevertheless, the molecular origins of promiscu...

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Podrobná bibliografie
Vydáno v:Mol Inform
Hlavní autoři: Blaschke, Thomas, Feldmann, Christian, Bajorath, Jürgen
Médium: Artigo
Jazyk:Inglês
Vydáno: John Wiley and Sons Inc. 2020
Témata:
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC7816223/
https://ncbi.nlm.nih.gov/pubmed/32881355
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/minf.202000196
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