Cover Feature: CHIPMUNK: A Virtual Synthesizable Small‐Molecule Library for Medicinal Chemistry, Exploitable for Protein–Protein Interaction Modulators (ChemMedChem 6/2018)
Lina Humbeck, Sebastian Weigang, Till Schäfer, Petra Mutzel, Oliver Koch · ChemMedChem · 2018
The Cover Feature shows three chipmunks involved in the creation, analysis, and clustering of the synthesizable virtual molecule library CHIPMUNK. Nearly 100 million compounds were generated with in silico reactions on accessible building blocks, and their descriptor profile was analysed. The library was clustered together with molecules from other public libraries in order to relate it to the known chemical space and to divide the huge library into manageable subsets. It serves as an idea generator and covers the chemical space beyond the rule of five and of protein–protein as well as protein–ligand interaction modulators. Artwork provided by Melanie Wilkesmann. More information can be found in the Full Paper by Oliver Koch et al. on page 532 in Issue 6, 2018 (DOI: 10.1002/cmdc.201700689).