Activity cliffs resist prediction within and across protein kinases: a leakage-controlled machine-learning analysis of structure-potency discontinuities.

Agboola SS, Agboola OE, Olasehinde OR, Aribigbola TC, Shaleye AB, Alebiosu IA, Ayinla ZA, Oyinloye BE, Ilesanmi OS, Omotuyi IO, Oyebamiji AK

Open source

DOI
10.1016/j.bioorg.2026.110406
Published
2026 Oct 5
Container
Bioorganic chemistry
Publisher
Not recorded
Open access
unknown

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BibTeX

@article{allodium:10.1016/j.bioorg.2026.110406,
  title = {Activity cliffs resist prediction within and across protein kinases: a leakage-controlled machine-learning analysis of structure-potency discontinuities.},
  author = {Agboola SS and Agboola OE and Olasehinde OR and Aribigbola TC and Shaleye AB and Alebiosu IA and Ayinla ZA and Oyinloye BE and Ilesanmi OS and Omotuyi IO and Oyebamiji AK},
  year = {2026},
  journal = {Bioorganic chemistry},
  doi = {10.1016/j.bioorg.2026.110406},
  url = {https://doi.org/10.1016/j.bioorg.2026.110406}
}

RIS

TY  - JOUR
TI  - Activity cliffs resist prediction within and across protein kinases: a leakage-controlled machine-learning analysis of structure-potency discontinuities.
AU  - Agboola SS
AU  - Agboola OE
AU  - Olasehinde OR
AU  - Aribigbola TC
AU  - Shaleye AB
AU  - Alebiosu IA
AU  - Ayinla ZA
AU  - Oyinloye BE
AU  - Ilesanmi OS
AU  - Omotuyi IO
AU  - Oyebamiji AK
PY  - 2026
JO  - Bioorganic chemistry
DO  - 10.1016/j.bioorg.2026.110406
UR  - https://doi.org/10.1016/j.bioorg.2026.110406
ER  - 

APA

SS, A., OE, A., OR, O., TC, A., AB, S., IA, A., ZA, A., BE, O., OS, I., IO, O., & AK, O. (2026). Activity cliffs resist prediction within and across protein kinases: a leakage-controlled machine-learning analysis of structure-potency discontinuities.. Bioorganic chemistry. https://doi.org/10.1016/j.bioorg.2026.110406

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