Ligand efficiency as a guide in fragment hit selection and optimization

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Fragment-based screening (FBS) has become an established approach for hit identification. Starting points identified by FBS, are small fragments that require substantial modification to become leads. As fragments are different from classical hits a process tailored for fragment evolution is required. Scores for ligand efficiency have been proposed as guides for this process. In this article the Sabine Schultes et al. review how these have been applied to guide the selection and optimization of fragment hits.

Furthermore, the authors discuss various efficiency indices and how to best leverage them in fragment-based drug discovery projects.

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