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Formulación inteligente: Plataforma web impulsada por IA para la optimización y la predicción de la estabilidad de
Artur Grigoryan1, Stefan Helfrich2, Valentin Lequeux1
1Fripharm®, Pharmacy Department, Groupe Hospitalier Centre Edouard Herriot, Hospices Civils de Lyon, 5, Place d'Arsonval, F-69437 Lyon, France.
Pharmaceuticals (Basel, Switzerland)
|August 28, 2025
Resumen
Smart Formulation, una plataforma de IA, predice las fechas de uso más allá (BUD) para medicamentos compuestos. Ayuda a los farmacéuticos a optimizar la estabilidad del medicamento al considerar factores moleculares, de formulación y ambientales, mejorando la atención al paciente.
Área de la Ciencia:
- Productos farmacéuticos por computación
- Inteligencia artificial en la formulación de medicamentos
- Modelado predictivo para la estabilidad del fármaco
Sus antecedentes:
- Las formas sólidas orales compuestas requieren fechas más allá del uso (BUD) precisas.
- Los métodos actuales para determinar BUD pueden consumir mucho tiempo y ser costosos.
- La optimización de la estabilidad del preparado extemporaneo es crucial para la seguridad del paciente.
Objetivo del estudio:
- Desarrollar una herramienta de apoyo a la toma de decisiones basada en la inteligencia artificial, la formulación inteligente, para predecir los BUD.
- Integrar parámetros moleculares, de formulación y ambientales para la predicción de la estabilidad.
- Para ayudar a los farmacéuticos a optimizar la estabilidad de los medicamentos compuestos.
Principales métodos:
- Se entrenó un modelo de regresión de conjunto de árboles con 55 valores experimentales de BUD.
- Las formulaciones fueron codificadas con descriptores moleculares, composición del excipiente, embalaje y condiciones de almacenamiento.
- El modelo se implementó utilizando la plataforma KNIME para la integración de la quimioinformática y el aprendizaje automático.
Principales resultados:
- El tipo de excipiente, el número y las condiciones ambientales afectan significativamente la estabilidad de la API.
- Los valores más bajos de LogP y los excipientes individuales (por ejemplo, celulosa, sílice, sacarosa, manitol) se correlacionan con una mayor estabilidad.
- La HPMC y la lactosa aceleraron la degradación; el uso de dos excipientes a menudo redujo el BUD.
Conclusiones:
- La formulación inteligente proporciona una herramienta computacional valiosa para la farmacéutica, vinculando el diseño de la formulación a las necesidades de composición.
- La plataforma ofrece una alternativa escalable y rentable a las pruebas de estabilidad tradicionales.
- La implementación puede mitigar la escasez de medicamentos, estandarizar las formulaciones y mejorar la atención al paciente.
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