$\mathtt{Q^2SAR}$: overcoming classical bottlenecks in drug discovery via quantum multiple kernel learning
Quantitative Structure-Activity Relationship ($\mathtt{QSAR}$) modeling is a foundational computational methodology in early-stage drug discovery, heavily relied upon for predicting compound toxicity, bioavailability, and therapeutic potential. However, classical methods often struggle to effectively map the highly complex, non-linear, and high-dimensional interactions inherent in molecular data, leading to reduced predictive accuracy and costly late-stage clinical failures. In this paper, we present a Quantum Multiple Kernel Learning ($\mathtt{QMKL}$) framework, dubbed Next-Gen $\mathtt{Q^2SA