Interpretable QSAR and Complementary Docking for PARP1 Inhibitor Prioritization: Reliability Stratification and Near-Domain Screening
: This workflow provides a transparent and practically useful framework for near-domain PARP1 inhibitor prioritization. The combined QSAR, explainability, external corroboration, and docking strategy supports shortlist generation for experimental follow-up.
Authors
- Khaled A. Elsayad (ORCID: https://orcid.org/0000-0002-9179-0460)
- Alaa M. Elsayad (ORCID: https://orcid.org/0000-0001-8053-9759)
Institutions
- Prince Sattam Bin Abdulaziz University (SA)
- Cairo University hospitals (EG)
Publication Details
- Journal
- Pharmaceuticals
- Published
- 2026-04-07
- DOI
- https://doi.org/10.3390/ph19040584
- Primary Topic
- PARP inhibition in cancer therapy
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- Prince Sattam bin Abdulaziz University