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Author

P. A. Akinnusi

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Aug 2026

Applicability-domain-aware cheminformatics and structure-based prioritization of HER2 kinase inhibitor analogs.

An applicability-domain-aware workflow for prioritizing scaffold-constrained HER2 kinase inhibitor analogs is developed, providing a reproducible computational route for selecting experimentally testable HER2 analogs while keeping model extrapolation, chemical diversity, and structure-based interpretation explicit.

P. A. Akinnusi · 0 citations

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