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A hybrid supervised and unsupervised machine learning approach for identifying nucleoside drugs using nanopore
Sneha Mittal1, Milan Kumar Jena1, Biswarup Pathak1
1Department of Chemistry, Indian Institute of Technology (IIT) Indore, Indore, Madhya Pradesh, 453552, India. biswarup@iiti.ac.in.
Nanoscale
|July 15, 2025
Summary
We developed a portable nanopore method for rapid, high-throughput identification of nucleoside drugs. This approach uses machine learning to accurately detect both anti-cancer and anti-viral drugs, overcoming limitations of current complex analytical tools.
Area of Science:
- Biochemistry
- Analytical Chemistry
- Nanotechnology
Background:
- Nucleoside drugs are vital for treating cancer and viral infections.
- Current analysis methods like LC-MS/MS are complex, costly, and time-consuming.
- Next-generation detection methods are needed for efficient nucleoside drug analysis.
Purpose of the Study:
- To develop a portable, rapid, and precise high-throughput method for identifying nucleoside drugs.
- To enable simultaneous identification and differentiation of multiple nucleoside drugs.
- To overcome the limitations of existing analytical techniques for nucleoside drug detection.
Main Methods:
- Utilized a nanopore-based sensing platform for drug detection.
- Implemented a hybrid supervised and unsupervised machine learning workflow.
- Achieved single-molecule detection of nucleoside drugs with high accuracy.
Main Results:
- Demonstrated simultaneous identification of multiple anti-viral and anti-cancer nucleoside drugs.
- Achieved accurate drug identification from nanopore transmission readouts.
- Showcased the portability and efficiency of the developed method.
Conclusions:
- The proposed ML-assisted nanopore approach offers a next-generation solution for nucleoside drug analysis.
- This method enables rapid, precise, and high-throughput detection, overcoming previous analytical challenges.
- The technology holds promise for advancing clinical diagnostics and drug development.
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