Smart Formulation
AI and predictive modeling for pharmaceutical formulation
Smart Formulation embodies augmented pharmaceutical formulation, a scientific approach combining artificial intelligence, predictive modeling, and published stability data to estimate Beyond-Use Dates and improve the stability of medicines.
The platform leverages machine learning to anticipate the degradation of active pharmaceutical ingredients, evaluate the impact of excipients, and optimize the formulation strategy from the earliest stages of development.
This predictive formulation approach reduces experimental stability studies, accelerates R&D, and strengthens the pharmaceutical quality of final products.
Designed for pharmaceutical R&D teams, hospital compounding units, and the pharmaceutical industry, Smart Formulation helps design medicines that are more stable, safer, and more efficient.
Predicting the Beyond-Use Date of pharmaceutical preparations
The Smart Formulation platform integrates molecular descriptors, formulation parameters, environmental conditions (temperature, humidity), packaging, and published stability data to provide a transparent and reliable estimate of the Beyond-Use Date.
In the European Pharmacopoeia, the USP concept of “Beyond-Use Date” (BUD) has no direct equivalent. The Ph. Eur. refers to shelf life and in-use period after opening or reconstitution, determined from stability data (ICH Q1A–Q1E). For hospital preparations, the BUD corresponds to a scientifically justified in-use period based on product properties and storage conditions.
A scientific tool to support pharmaceutical practice
Developed with hospital pharmacists and formulation scientists, Smart Formulation integrates molecular descriptors, formulation variables, environmental parameters, and packaging with published stability data to deliver quantitative, interpretable predictions of Beyond-Use Dates along with a confidence interval.
The four expert modules
Practical applications
Supports scientific justification of Beyond-Use Dates for compounded and reconstituted preparations. Helps harmonise practices and document BUD decisions in batch records or validation master plans.
Decision-support tool for the evaluation of extemporaneous and magistral preparations. Provides an objective and documented estimation of stability for improved traceability and patient safety.
Supports formulation design and optimisation at preclinical and industrial stages. Enables exploration of formulation variables, packaging and storage conditions to promote predictive pharmaceutical development.
A scientific approach based on predictive modelling
Smart Formulation is based on predictive modeling combining published stability data, molecular properties of active ingredients, and formulation, packaging and storage variables (temperature, humidity, pH, solvents, materials, etc.). Models developed in KNIME leverage explainable algorithms to estimate the predicted Beyond-Use Date together with a confidence interval and an analysis of influential factors. This approach complements pharmacopoeial guidelines and strengthens the scientific justification of stability decisions.