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Increasing the public activity cliff knowledge base with new categories of activity cliffs.

Huabin HuJürgen Bajorath
Published in: Future science OA (2020)
For dual-site ACs, limited numbers of isomers are available as structural analogs for rationalizing contributions to AC formation. The search for such analogs will continue. In addition, the target distribution of ACs containing privileged substructures will be further analyzed.
Keyphrases
  • acute coronary syndrome
  • healthcare
  • molecular docking