KINETICS360

Automated kinetic modelling for scale-up readiness

Kinetics360 proposes, ranks and differentiates kinetic models, then extracts core reaction parameters just using time-series data. Simulations enables comparison of new conditions & models.

HTE plate diagram

Generating kinetic models

Simple model generation with differentiation between similar reaction schemes and extraction of core kinetic parameters.

Initial experiment suggestions, followed by targeted differentiation.

User interface panel titled 'Suggest Experiments' with two tab options: 'Initialize' selected and 'Differentiate' unselected. Below, instructions read 'Generate initial conditions furthest from what you've already run.' An input field labeled 'Samples per run' has the value 10. At the bottom, there are two buttons: a white 'Cancel' button and a blue 'Create experiments' button.

Evaluate models and extract core parameters such as activation energy.

Model 1 displaying reaction mechanism, parameters, and predictions with scores: score -8637.724, R² 0.993, MAE 0.0033. Reactions and rate constants given with equations involving species A, B, C, E, F and their rate constants k1 to k4 including Arrhenius expressions. Constants section shows R = 8.314 J K⁻¹ mol⁻¹. Rate equations detail time derivatives of concentrations of A, B, C, D, E, F with corresponding color-coded bullet points for each equation.

SIMULATE

Explore different conditions and compare predictions‍

Adjust starting conditions to simulate new runs.
Compare different models.
Understand how the system will perform under new inputs.

Variable Distribution

Variable Distribution

OPTIMIZE

Identify the optimal starting conditions

Set objectives such as maximising conversion or minimise impurity.
Use the derived models to simulate what conditions will work.
In this example, we seek to maximise the concentration of paracetamol.

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