> meaning that for a given patient with a given cancer, you can run an algorithm and synthesise molecules that will work?
The paradigm is called rational drug design (+ personalised medicine) and its scope is quite limited at the current level of technology. To achieve what you describe, we need to solve all of the following:
- a way to recognise the molecular mechanism of a particular cancer and identify potential drug targets
- a way to characterise the targets - in the previous step you identified a protein, now you need to know its shape (X-ray crystallography (potentially years), AlphaFold). We need to know how the target should be modified to disrupt the disease.
- a way to design a molecule that binds the target specifically and in the desired way
- a way to synthesise the molecule quickly & efficiently
- a way to predict the molecule's interactions at all stages of metabolism, taking into account the patient's individual phenotype (different people have significant variations in drug-digesting enzymes)
Significant (decades at the current rate) progress in all of these areas is needed before this sort personalised medicine has a chance of becoming feasible.