September 10, 2025Drug repurposing

Role of Chemoinformatics and Machine Learning in Drug Repurposing

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This review discusses how chemoinformatics and machine learning enhance drug repurposing, indicating improvements in speed and accuracy.

Drug repurposing offers a faster and less expensive alternative to traditional drug discovery, reducing development costs.
Chemoinformatics employs methods such as molecular docking and virtual screening to close data integration gaps.
Machine learning can predict drug–target interactions efficiently, leveraging large datasets for improved accuracy.
Advancements like AlphaFold enhance prediction accuracy, enabling quicker identification of potential drug candidates.

Sirci et al. (2025) studied this question.

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