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Qazi Mohammad Sajid

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Open access Aug 2026

Multiclass Machine Learning-Based Discovery of Novel Scaffold Inhibitors Targeting ALK

This integrated ML-to-simulation workflow prioritizes structurally novel candidate hits with predicted ALK inhibitory activity and provides an effective strategy for scaffold discovery and hit prioritization.

José Zarzuelo Romero, M. López-Viota, M. Haque et al. · 0 citations