Leveraging Machine Learning for Predicting Molecular Refractivity in Drug Toxicology

The integration of electronics engineering into molecular refractivity prediction is transforming drug toxicology studies. By combining biosensors, machine learning algorithms, and high-speed data systems, scientists can better predict toxicological profiles of drugs. This interdisciplinary approach improves safety and efficacy in drug development. Electronics engineering enables real-time monitoring of drug metabolism through wearable devices and predictive models, identifying toxic metabolites early and reducing adverse reactions. These technologies enhance the assessment of metabolic processes, guiding safer drug development. Machine learning algorithms further refine predictions by analyzing large datasets, identifying toxicity patterns, and improving personalized treatment plans, ultimately reducing time and costs in toxicology testing. In this research work, machine learning classifier accuracy has been achieved 85% to identify toxic drugs and toxicity prediction accuracy by using the Bayesian Neural Network was 95.8%.

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Published
2025-02-20
DOI
https://doi.org/10.1109/icsc64553.2025.10968736
Primary Topic
Analytical Chemistry and Chromatography
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article
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article

Leveraging Machine Learning for Predicting Molecular Refractivity in Drug Toxicology

Saloni Joshi, Ruby Beniwal, Reema Gabrani
Analytical Chemistry and Chromatography
article

Leveraging Machine Learning for Predicting Molecular Refractivity in Drug Toxicology

Saloni Joshi, Ruby Beniwal, Reema Gabrani
article en

Abstract

The integration of electronics engineering into molecular refractivity prediction is transforming drug toxicology studies. By combining biosensors, machine learning algorithms, and high-speed data systems, scientists can better predict toxicological profiles of drugs. This interdisciplinary approach improves safety and efficacy in drug development. Electronics engineering enables real-time monitoring of drug metabolism through wearable devices and predictive models, identifying toxic metabolites early and reducing adverse reactions. These technologies enhance the assessment of metabolic processes, guiding safer drug development. Machine learning algorithms further refine predictions by analyzing large datasets, identifying toxicity patterns, and improving personalized treatment plans, ultimately reducing time and costs in toxicology testing. In this research work, machine learning classifier accuracy has been achieved 85% to identify toxic drugs and toxicity prediction accuracy by using the Bayesian Neural Network was 95.8%.

Jaypee Institute of Information Technology (IN)
Openalex Percentile: Top 92%
Analytical Chemistry and Chromatography
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Leveraging Machine Learning for Predicting Molecular Refractivity in Drug Toxicology — Saloni Joshi, Ruby Beniwal, et al. · (2025) | TGRS Research Map | TGRS