Random Forest Model for the Prediction of Herbal-Induced Liver Injury: Application to Molecules from the West African Pharmacopoeia...36th Medical Informatics Europe (MIE) Conference, May 25-28, 2026, Genoa, Italy.

Herbal medicines play a crucial role in primary healthcare across West Africa, yet their potential for liver toxicity remains poorly documented. Predicting herbal-induced liver injury is therefore essential to ensure the safe use of traditional remedies. A Random Forest model was developed to predic...

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Publicado en:Studies in Health Technology & Informatics Vol. 336; pp. 473 - 478
Autores principales: KANTAGBA, Yves M. K., BARRO, Seydou Golo, NIKIEMA, Serge L. W., STACCINI, Pascal
Formato: proceedings research tables/charts Journal Article
Publicado: Sage Publications Inc. 2026
Acceso en línea:Ver este registro en EBSCOhost
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      dt: 2026
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      pub: Sage Publications Inc.
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        atl: Random Forest Model for the Prediction of Herbal-Induced Liver Injury: Application to Molecules from the West African Pharmacopoeia...36th Medical Informatics Europe (MIE) Conference, May 25-28, 2026, Genoa, Italy.
      aug:
        au:
          KANTAGBA, Yves M. K.
          BARRO, Seydou Golo
          NIKIEMA, Serge L. W.
          STACCINI, Pascal
        affil: Université NAZI BONI, Bobo Dioulasso, Burkina-Faso.
      sug:
        subj:
          Random Forest
          Prediction Models
          Medicine, Herbal Adverse Effects
          Liver Diseases Etiology
          Plants, Medicinal Adverse Effects
          Medicine, African Traditional
          Hepatotoxicity Etiology
          Risk Assessment
          Congresses and Conferences Italy
          Italy
          Human
          Africa, Western
          Phytochemicals
          Descriptive Statistics
          Fusidic Acid
          Data Analysis Software
          ROC Curve
          Artificial Intelligence
          Drug Toxicity
          Pharmacovigilance
      ab: Herbal medicines play a crucial role in primary healthcare across West Africa, yet their potential for liver toxicity remains poorly documented. Predicting herbal-induced liver injury is therefore essential to ensure the safe use of traditional remedies. A Random Forest model was developed to predict hepatotoxicity using a combined feature set of nine physicochemical descriptors and Morgan fingerprints R2 (1024 bits). The training dataset included reference compounds from the FDA DILIst dataset, while external validation was performed on the Greene dataset. Model performance was assessed using nested cross-validation and evaluated through multiple metrics including AUC-ROC, AUC-PR, F1-macro, and MCC. The combined descriptors-molecular fingerprints model achieved an external AUCROC of 0.83, AUC-PR of 0.85, and MCC of 0.55, demonstrating strong generalization capacity. Application of the model to 191 phytochemicals from the West African pharmacopoeia indicated that 80.1% were potentially hepatotoxic, with fusidic acid and nicamin showing the highest probabilities (>80%). These results confirm the reliability of the RF approach for hepatotoxicity prediction and highlight the need for systematic toxicological evaluation of traditional medicines. Artificial intelligence thus offers an efficient framework for integrating safety assessment into pharmacopoeia modernization.
      pubtype: Academic Journal
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        research
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      ougenre: Article
    language: English
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