Topics of the Workshop
Enamine’s REAL Space is among the largest for drug discovery, yet it’s searchable at interactive speeds on standard hardware, powered by combinatorial Chemical Space technology. Learn how BioSolveIT’s tools lets medicinal and computational chemists explore these vast spaces and lock in on relevant molecules.
Join us for a workshop that is perfect for professional development in ultra-large screening methods and meeting new peers.
- Ligand-based exploration of Enamine's REAL Space driven by molecular similarity.
- Proximal mining for close analogs of compounds of interest applying fingerprint-based algorithms.
- Introduction to pharmacophore-based searches for scaffold hopping and hit expansion.
- Creation of tailored target-focused libraries for in-house workflows (e.g., AI methods).
- A REAL case study on developing CRBN molecular glue libraries and E3 ligand-linker conjugate kits.
- An overview of Enamine Discovery Services to support research from virtual hit to your labs.
Looking forward to meeting you at the workshop!