QKDTI A quantum kernel based machine learning model for drug target interaction prediction

QKDTI A quantum kernel based machine learning model for drug target interaction prediction

Abstract Drug-target interaction (DTI) prediction is a critical task in computational drug discovery, enabling drug repurposing, precise medicine, and large-scale virtual screening. Traditional in-silico methods, such as molecular docking, classical machine learning, and deep learning, have made sig...

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Bibliographic Details
Main Authors: Gundala Pallavi, Ali Altalbe, R. Prasanna Kumar
Format: Article
Language:English
Published: Nature Portfolio 2025-07-01
Series:Scientific Reports
Subjects:
Drug–Target interaction
Quantum kernel
Computational drug discovery
Quantum mapping
Quantum machine learning
Online Access:https://doi.org/10.1038/s41598-025-07303-z
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https://doi.org/10.1038/s41598-025-07303-z

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