MolBook UNIPI─Create, Manage, Analyze, and Share Your Chemical Data for Free

Here, we present MolBook UNIPI, freely available anduser-friendlysoftware specifically designed for medicinal chemists as a powerfultool for the easy management of virtual libraries of chemical compounds.With MolBook UNIPI, it is possible to create, store, handle, and sharemolecular databases in a very simple and intuitive way. The softwareallows users to rapidly generate libraries of bioactive ligands, buildingblocks, or commercial compounds by either manually creating singlemolecules or automatically importing compounds from public databasesand pre-existing libraries. MolBook UNIPI databases can be enrichedwith all kinds of data and can be filtered based on molecular structuresor properties, allowing the desired molecules, along with their structuresand features, to be easily accessible in just a few clicks. Moreover,new molecular properties and potential toxicological effects of compoundscan be rapidly and reliably predicted. Notably, all of these functionscan be easily mastered even by inexperienced users, with no priorcheminformatics knowledge or programming skills, which makes MolBookUNIPI an invaluable tool for medicinal chemists. MolBook UNIPI canbe downloaded free of charge from the project web page https://molbook.farm.unipi.it/.