Synthesis design lead optimisation

In the optimisation search of the chemical processes, many of the key parameters are only partially known where there is significant uncertainty regarding their future values. Furthermore, there are inherently uncertainties associated with both the plant model as well as the environmental model. Designing chemical processes under uncertainty has been a common class of problems in synthesis and design and has received considerable attention in recent years. A natural extension in the formulation proposed in this thesis is the incorporation/addition of uncertainty in the formulation of the optimisation problem. This, however, would naturally increase the computational complexity as the presence of uncertainty would lead to semi-infinite optimisation problems. 

During optimisation of a compound series, researchers run through a process of hypothesis and trials. The process starts with the design and synthesis of a compound, which after biological testing in a multiparameter space leads to a verified hypothesis and design of compounds until the optimisation goal has been achieved. 

---