A Next Generation Innovation in Drug Discovery Using Quantum Generative AI

The convergence of Quantum Computing and Generative Artificial Intelligence (AI) marks a transformative leap in the field of drug discovery. Traditional drug development pipelines are often slow, costly, and limited by classical computational constraints. This paper presents a novel hybrid approach—QuantumGeneraDrug—that integrates quantum generative models with deep learning architectures to accelerate molecule generation, optimize binding affinities, and reduce computation time. A comprehensive literature survey highlights the evolution of both quantum algorithms and generative AI models applied to pharmaceutical research. The proposed system demonstrates improved performance over existing frameworks in key metrics such as valid molecule rate, druglikeness (QED) score, binding affinity accuracy, and processing time per compound. Comparative results are illustrated using numerical tables and visualized via bar and pie charts. The study concludes that Quantum Generative AI holds immense promise for next-generation drug discovery, especially in tackling complex diseases and enabling personalized medicine.

Authors

Publication Details

Journal
International Journal of Pharmaceutical Research and Applications
Published
2025-04-01
DOI
https://doi.org/10.35629/4494-1004448454
Primary Topic
Genetics, Bioinformatics, and Biomedical Research
Type
article
Field-Weighted Citation Impact
0.00
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article

A Next Generation Innovation in Drug Discovery Using Quantum Generative AI

P. Chitralingappa, Nazeer Shaik, D. Priya
International Journal of Pharmaceutical Research and Applications
Genetics, Bioinformatics, and Biomedical Research
article

A Next Generation Innovation in Drug Discovery Using Quantum Generative AI

P. Chitralingappa, Nazeer Shaik, D. Priya
article en

Abstract

The convergence of Quantum Computing and Generative Artificial Intelligence (AI) marks a transformative leap in the field of drug discovery. Traditional drug development pipelines are often slow, costly, and limited by classical computational constraints. This paper presents a novel hybrid approach—QuantumGeneraDrug—that integrates quantum generative models with deep learning architectures to accelerate molecule generation, optimize binding affinities, and reduce computation time. A comprehensive literature survey highlights the evolution of both quantum algorithms and generative AI models applied to pharmaceutical research. The proposed system demonstrates improved performance over existing frameworks in key metrics such as valid molecule rate, druglikeness (QED) score, binding affinity accuracy, and processing time per compound. Comparative results are illustrated using numerical tables and visualized via bar and pie charts. The study concludes that Quantum Generative AI holds immense promise for next-generation drug discovery, especially in tackling complex diseases and enabling personalized medicine.

International Journal of Pharmaceutical Research and ApplicationsVol. 10(4)
Openalex Percentile: Top 83%
Genetics, Bioinformatics, and Biomedical Research
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A Next Generation Innovation in Drug Discovery Using Quantum Generative AI — P. Chitralingappa, Nazeer Shaik, et al. · International Journal of Pharmaceutical Research and Applications (2025) | TGRS Research Map | TGRS