Exploring qsar models for activity-cliff prediction

HIGHLIGHTS

• who: Markus Dablander from the (UNIVERSITY) have published the paper: Exploring QSAR models for activity-cliff prediction, in the Journal: (JOURNAL)
• what: This approach has been followed in the AC-prediction field which is concerned with developing techniques to classify whether a pair of similar compounds forms an AC or not. Note that while the authors focus on three target-based data sets in this work, it might be worthwhile and interesting to extend the methodology of this study to also include ADMET-based data sets in the future. The authors propose a novel data . . .
  

   

  

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