De novo design and bioactivity prediction of mitotic kinesin Eg5 inhibitors using MPNN and LSTM-based transfer learning

Damilola Samuel Bodun, Isiaka O. Ibrahim, Mujeebat Bashiru, Rachael Oluwakamiye Abolade, Wilberforce K. Ndarawit, Adedoyin John-Joy Owolade, Adegbenro Temitope, Ibeh John Somtochukwu, Ezekiel Abiola Olugbogi, Katukoliya Gamage Anuththara Samadhi, Gbolahan Oduselu, Suliman Sharif, Damilola Alex Omoboyowa, Olayinka O. Ajani

Open source

DOI
10.1016/j.compbiomed.2025.110672
Published
2025-09
Container
Computers in Biology and Medicine
Publisher
Elsevier BV
Open access
unknown

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BibTeX

@article{allodium:10.1016/j.compbiomed.2025.110672,
  title = {De novo design and bioactivity prediction of mitotic kinesin Eg5 inhibitors using MPNN and LSTM-based transfer learning},
  author = {Damilola Samuel Bodun and Isiaka O. Ibrahim and Mujeebat Bashiru and Rachael Oluwakamiye Abolade and Wilberforce K. Ndarawit and Adedoyin John-Joy Owolade and Adegbenro Temitope and Ibeh John Somtochukwu and Ezekiel Abiola Olugbogi and Katukoliya Gamage Anuththara Samadhi and Gbolahan Oduselu and Suliman Sharif and Damilola Alex Omoboyowa and Olayinka O. Ajani},
  year = {2025},
  journal = {Computers in Biology and Medicine},
  doi = {10.1016/j.compbiomed.2025.110672},
  url = {https://doi.org/10.1016/j.compbiomed.2025.110672}
}

RIS

TY  - JOUR
TI  - De novo design and bioactivity prediction of mitotic kinesin Eg5 inhibitors using MPNN and LSTM-based transfer learning
AU  - Damilola Samuel Bodun
AU  - Isiaka O. Ibrahim
AU  - Mujeebat Bashiru
AU  - Rachael Oluwakamiye Abolade
AU  - Wilberforce K. Ndarawit
AU  - Adedoyin John-Joy Owolade
AU  - Adegbenro Temitope
AU  - Ibeh John Somtochukwu
AU  - Ezekiel Abiola Olugbogi
AU  - Katukoliya Gamage Anuththara Samadhi
AU  - Gbolahan Oduselu
AU  - Suliman Sharif
AU  - Damilola Alex Omoboyowa
AU  - Olayinka O. Ajani
PY  - 2025
JO  - Computers in Biology and Medicine
DO  - 10.1016/j.compbiomed.2025.110672
UR  - https://doi.org/10.1016/j.compbiomed.2025.110672
ER  - 

APA

Bodun, D. S., Ibrahim, I. O., Bashiru, M., Abolade, R. O., Ndarawit, W. K., Owolade, A. J., Temitope, A., Somtochukwu, I. J., Olugbogi, E. A., Samadhi, K. G. A., Oduselu, G., Sharif, S., Omoboyowa, D. A., & Ajani, O. O. (2025). De novo design and bioactivity prediction of mitotic kinesin Eg5 inhibitors using MPNN and LSTM-based transfer learning. Computers in Biology and Medicine. https://doi.org/10.1016/j.compbiomed.2025.110672

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