A decision-support workflow for the selection of mathematical models in drug dissolution and release studies

In vitro dissolution tests are an essential tool in pharmaceutical development. The wide variety of mathematical models available for interpreting the obtained profiles creates ambiguity and difficulty in their selection and application. The objective of this work was to develop a structured decision-support framework for the preselection of mathematical models in drug dissolution and release studies, integrating the initial experimental profile observation with model applicability criteria, physicochemical considerations, release behavior characteristics, interpretability aspects, and statistical evaluation. A review of classical and recent dissolution/release models was conducted, highlighting their constraints. Based on this information, a hierarchical and transparent workflow was designed to guide model selection in a more systematic manner. This workflow was applied to representative systems: hydrogels, polymeric films, modular systems (Dome Matrix), and 3D-printed pills, allowing the reduction of the number of candidate models and guiding the selection toward equations consistent with the observed phenomena. The methodology proved to be versatile and applicable to different release mechanisms. The proposed workflow constitutes a flexible and practical tool that facilitates the selection of mathematical models. It does not replace the researcher's judgment, but rather complements it, promoting a more transparent and reproducible use of mathematical modeling in pharmaceutical development.