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Sponsored Artificial Intelligence: A Modern Approach, Global Edition Artificial Intelligence: A Modern Approach, Global Edition

Author

Rand Shahin

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#software testing Open access Oct 2026

Discovery of Novel Polycyclic Aromatic Inhibitors of Anaplastic Lymphoma Kinase (ALK) via Integrated QSAR Modeling, Machine Learning, and Pharmacophore-Guided Virtual Screening with AI-Assisted Mechanistic Interpretation of Structure–Activity Relationships

TitleData and software for: Discovery of Novel Polycyclic Aromatic Inhibitors of Anaplastic Lymphoma Kinase (ALK) via Integrated QSAR Modeling, Machine Learning, and Pharmacophore-Guided Virtual Screening Description This repository holds the data and software files supporting the manuscript submitted to the Journal of...

Rand O. Shahin · 0 citations
#graph neural networks Review Open access Aug 2026

Bridging the antiviral drug design gap: a combined machine learning and QSAR approach for drug repurposing of host kinase inhibitors

Viral outbreaks combined with rapid emergence of mutated viruses have highlighted an urging need for accelerating antiviral drug discovery pipelines. Unfortunately, current drug discovery remains stuck to conventional methods which are slow especially during pandemics. In this article, we present a literature-based syn...

Rand O. Shahin, Yusra Azzam, Salma Azzam · 0 citations

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