De novo design and bioactivity prediction of mitotic kinesin Eg5 inhibitors using MPNN and LSTM-based transfer learning
- 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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Cite this work
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
Source records
- crossref · retrieved 2026-09-25T18:19:26.799Z