Here, we present MolBook UNIPI, freely available and
user-friendly
software specifically designed for medicinal chemists as a powerful
tool for the easy management of virtual libraries of chemical compounds.
With MolBook UNIPI, it is possible to create, store, handle, and share
molecular databases in a very simple and intuitive way. The software
allows users to rapidly generate libraries of bioactive ligands, building
blocks, or commercial compounds by either manually creating single
molecules or automatically importing compounds from public databases
and pre-existing libraries. MolBook UNIPI databases can be enriched
with all kinds of data and can be filtered based on molecular structures
or properties, allowing the desired molecules, along with their structures
and features, to be easily accessible in just a few clicks. Moreover,
new molecular properties and potential toxicological effects of compounds
can be rapidly and reliably predicted. Notably, all of these functions
can be easily mastered even by inexperienced users, with no prior
cheminformatics knowledge or programming skills, which makes MolBook
UNIPI an invaluable tool for medicinal chemists. MolBook UNIPI can
be downloaded free of charge from the project web pagehttps://molbook.farm.unipi.it/.