Bioactivity assessment of natural compounds using machine learning models trained on target similarity between drugs

HIGHLIGHTS

• who: Vinita Periwal et al. from the Unit, University of Cambridge, Cambridge, United Kingdom, Faculty of Biosciences, Heidelberg University have published the article: Bioactivity assessment of natural compounds using machine learning models trained on target similarity between drugs, in the Journal: (JOURNAL) of March/17,/2022
• what: The authors propose a powerful approach where the authors combine computational target prediction of natural compounds with an in-vitro validation of the binding partner. The authors focused on balanced threshold metrics (Fig 1D) (Matthews correlation metric (MCC) and F1) in combination with rank metrics (Fig 1E and . . .
  

   

  

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