The MMP transformations from SureCHEMBL can be used in different ways to create analogues to a seed compound:
- Based on the most common transformations: automatic creation of compounds that are “expected” to be made in a project – making sure you don’t forget any.
- Based on the least common transformations: creation of analogues that are “unexpected” – compounds a medicinal chemist would not immediately think about, but could increase the chance of creating novel compounds