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StreamChol: a web-based application for predicting cholestasis.

Pablo Rodríguez-Belenguer1, Emilio Soria-Olivas2, Manuel Pastor3

  • 1Research Programme On Biomedical Informatics (GRIB), Department of Medicine and Life Sciences, Universitat Pompeu Fabra, Hospital del Mar Medical Research Institute, Barcelona, Spain.

Journal of Cheminformatics
|January 22, 2025
PubMed
Summary
This summary is machine-generated.

StreamChol is a new open-source software enabling mechanistic model development for predicting cholestasis. This user-friendly tool integrates pharmacokinetic and machine learning analyses without requiring programming knowledge.

Keywords:
FrameworkIn-silico toxicologyQSARWeb interfaces

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Area of Science:

  • Toxicology
  • Computational Biology
  • Software Development

Background:

  • Predictive modeling for toxicological endpoints like cholestasis is crucial.
  • Integrating pharmacokinetic (PK) analyses with machine learning (ML) models offers a powerful approach.
  • Existing tools may lack user-friendliness or seamless integration capabilities.

Purpose of the Study:

  • To introduce StreamChol, a novel software for developing and applying mechanistic models to predict cholestasis.
  • To provide a user-friendly interface for integrating PK and ML models.
  • To offer a streamlined workflow for deploying predictive models via Docker.

Main Methods:

  • StreamChol is developed as a Streamlit application.
  • It facilitates the integration of pharmacokinetic analyses with Machine Learning models.
  • Docker containerization is used for simplified deployment across different environments.

Main Results:

  • StreamChol enables the prediction of cholestasis using mechanistic models.
  • The software allows for the integration of PK and ML models for toxicological predictions.
  • It provides a user-friendly interface, accessible without programming knowledge.

Conclusions:

  • StreamChol offers a potent, open-source tool for predictive toxicology.
  • The software simplifies the development and deployment of mechanistic models for cholestasis.
  • It provides a complete workflow for creating web platforms combining R and Python for scientific applications.