Automated Phytochemical-Drug Discovery via Multi-Modal Data Integration and HyperScore Prediction

**Abstract:** This paper presents a novel framework for accelerating phytochemical-derived drug discovery by integrating multi-modal data sources and employing a reinforcement learning-optimized HyperScore prediction model. This system leverages formerly siloed data modalities – textual scientific literature, chemical structure information, biological assay results, and genomic interaction maps – to identify promising phytochemical candidates with increased accuracy and efficiency compared to traditional screening methods. The system reduces discovery time by over 75% and increases hit rates through dynamically-weighted pattern recognition, achieving a measurable advantage in drug candidate prioritization. This approach provides an immediately commercializable platform for pharmaceutical research, significantly reducing the cost and time associated with drug development.

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Publication Details

Journal
Zenodo (CERN European Organization for Nuclear Research)
Published
2025-10-08
DOI
https://doi.org/10.5281/zenodo.17294297
Primary Topic
Pharmaceutical industry and healthcare
Type
article
Field-Weighted Citation Impact
0.00
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article

Automated Phytochemical-Drug Discovery via Multi-Modal Data Integration and HyperScore Prediction

Zenodo (CERN European Organization for Nuclear Research)
Pharmaceutical industry and healthcare
article

Automated Phytochemical-Drug Discovery via Multi-Modal Data Integration and HyperScore Prediction

article en

Abstract

**Abstract:** This paper presents a novel framework for accelerating phytochemical-derived drug discovery by integrating multi-modal data sources and employing a reinforcement learning-optimized HyperScore prediction model. This system leverages formerly siloed data modalities – textual scientific literature, chemical structure information, biological assay results, and genomic interaction maps – to identify promising phytochemical candidates with increased accuracy and efficiency compared to traditional screening methods. The system reduces discovery time by over 75% and increases hit rates through dynamically-weighted pattern recognition, achieving a measurable advantage in drug candidate prioritization. This approach provides an immediately commercializable platform for pharmaceutical research, significantly reducing the cost and time associated with drug development.

Zenodo (CERN European Organization for Nuclear Research)
Freed–Hardeman University (US)
Quality Education
Openalex Percentile: Top 39%
Pharmaceutical industry and healthcare
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