Construction of a working chemical space
The chemical space to be explored during a vHTS campaign can be constructed using diverse methodological approaches, each one particularly adapted to the research objectives. Some of the alternatives are:
- Compilation of commercially available compounds;
- Retrieval of compounds libraries from databases such as ChEMBL;
- Exploration of in-house compounds libraries;
- Exploration of synthetic chemical routes;
- Etc...
In this tutorial, we will be focusing on the exploration of synthetic chemical routes since it is particularly powerful in the context of the triazole chemistry that we have commented as strategy in the previous section.