| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 10885826 | Drug Discovery Today | 2014 | 12 Pages |
Abstract
- We provide a critical review of the current state of the activity cliff research.
- We comment on and integrate the opinions of experts working on activity cliffs.
- The negative effects of activity cliffs on prediction models are discussed.
- We provide a machine learning rationale for activity cliffs in chemoinformatics.
- Potential solutions to address the negative effects of activity cliffs are proposed.
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Authors
Maykel Cruz-Monteagudo, José L. Medina-Franco, Yunierkis Pérez-Castillo, Orazio Nicolotti, M. Natália D.S. Cordeiro, Fernanda Borges,