System and method for computing drug controlled release performance using images

A computer system for predicting release of a pharmaceutical ingredient from a release system, the computer system comprising:

• a processor;
• and
• a memory with computer code instructions stored thereon, the processor and the memory, with the computer code instructions being configured to implement:
• a three-dimensional reconstruction module, the three-dimensional reconstruction module being configured to construct a three-dimensional digital representation of the release system based on physical imaging data of a sample of the release system, the three-dimensional digital representation satisfying a representative elementary volume evaluation of the pharmaceutical ingredient in the release system;
• and
• a release simulation module configured to predict the release by computationally simulating the release of the pharmaceutical ingredient from the release system based on (i) physical properties governing the release, (ii) the three-dimensional digital representation of the release system, and (iii) at least one of:
• a percolating network of porosity of the release system, and a percolating network of porosity formed as the pharmaceutical ingredient is released from the release system, wherein computationally simulating the release of the pharmaceutical ingredient from the release system comprises performing a percolation-based simulation to determine at least one of:
• a non-dimensional release profile comprising an amount of the pharmaceutical ingredient released at each simulated, non-dimensional step of a layer-by-layer release of the pharmaceutical ingredient proceeding from an exterior surface of the release system to an interior of the release system;
• and
• an intermediate release stage microstructure for each simulated, non-dimensional step of a layer-by-layer release of the pharmaceutical ingredient from the release system, the layer-by-layer release proceeding from the exterior surface of the release system to the interior of the release system.

A non-transitory, computer-readable medium configured to store instructions for predicting release of a pharmaceutical ingredient from a release system, the instructions, when loaded and executed by a processor, cause the processor to predict the release of the pharmaceutical ingredient from the release system by:

• constructing a three-dimensional digital representation of the release system based on physical imaging data of a sample of the release system, the three-dimensional digital representation satisfying a representative elementary volume evaluation of the pharmaceutical ingredient in the release system;
• and
• predicting the release by computationally simulating the release of the pharmaceutical ingredient from the release system based on (i) physical properties governing the release, (ii) the three-dimensional digital representation of the release system, and (iii) at least one of:
• a percolating network of porosity of the release system, and a percolating network of porosity formed as the pharmaceutical ingredient is released from the release system, wherein computationally simulating the release of the pharmaceutical ingredient from the release system comprises performing a percolation-based simulation to determine at least one of:
• a non-dimensional release profile comprising an amount of the pharmaceutical ingredient released at each simulated, non-dimensional step of a layer-by-layer release of the pharmaceutical ingredient proceeding from an exterior surface of the release system to an interior of the release system;
• and
• an intermediate release stage microstructure for each simulated, non-dimensional step of a layer-by-layer release of the pharmaceutical ingredient from the release system, the layer-by-layer release proceeding from the exterior surface of the release system to the interior of the release system.