Advancing the activity cliff concept

  title={Advancing the activity cliff concept},
  author={Ye Hu and Dagmar Stumpfe and J{\"u}rgen Bajorath and Meir Glick and Patrick Walters and Gerhard M{\"u}ller},
The activity cliff concept has experienced increasing interest in medicinal chemistry and chemoinformatics. Activity cliffs have originally been defined as pairs of structurally similar compounds that are active against the same target but have a large difference in potency. Activity cliffs are relevant for structure-activity relationship (SAR) analysis and compound optimization because small chemical modifications can be deduced from cliffs that result in large-magnitude changes in potency. In… CONTINUE READING
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