Accurate prediction of activity cliff compounds based on bioactivity profiles depends on assay nearest neighbor relationships

Ryuto Abe, Tomoyuki Miyao, Jürgen Bajorath

Open source

DOI
10.1186/s13321-026-01210-9
Published
2026-06-03
Container
Journal of Cheminformatics
Publisher
Springer Science and Business Media LLC
Open access
unknown

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BibTeX

@article{allodium:10.1186/s13321-026-01210-9,
  title = {Accurate prediction of activity cliff compounds based on bioactivity profiles depends on assay nearest neighbor relationships},
  author = {Ryuto Abe and Tomoyuki Miyao and Jürgen Bajorath},
  year = {2026},
  journal = {Journal of Cheminformatics},
  doi = {10.1186/s13321-026-01210-9},
  url = {https://doi.org/10.1186/s13321-026-01210-9}
}

RIS

TY  - JOUR
TI  - Accurate prediction of activity cliff compounds based on bioactivity profiles depends on assay nearest neighbor relationships
AU  - Ryuto Abe
AU  - Tomoyuki Miyao
AU  - Jürgen Bajorath
PY  - 2026
JO  - Journal of Cheminformatics
DO  - 10.1186/s13321-026-01210-9
UR  - https://doi.org/10.1186/s13321-026-01210-9
ER  - 

APA

Abe, R., Miyao, T., & Bajorath, J. (2026). Accurate prediction of activity cliff compounds based on bioactivity profiles depends on assay nearest neighbor relationships. Journal of Cheminformatics. https://doi.org/10.1186/s13321-026-01210-9

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