MolBook UNIPI is a software developed by the MMVSL team for the academic and research community, to deal with data aimed to compose, manage and analyze databases containing information related to chemical compounds, to take advantage of various properties including the prediction of the toxicological profile of molecules.

With MolBook you can:

  • Create your chemical database
  • Add input data such as biochemical data, chemical purity etc.
  • Add file associated to single molecules
  • Import data from Microsoft Excel or sdf file
  • Import molecules or reagents by digiting their CAS number
  • Filter the chemical database basing on structural features
  • Filter the chemical database basing on biochemical activity or other properties
  • Predict toxicity and ADME properties
  • Carry out analysis for the detection of PAINS (Pan assay interference compounds)
  • Share the chemical database with your team and work together with them
  • Export data to Microsoft Excel/Word or sdf file
  • Performing similarity searches on known compounds
  • Retrieving data of molecules with biological activity reported for protein targets
  • Look for reactions schemes

Visit the Tutorial section for some examples of what you can do with MolBook UNIPI……

MolBook UNIPI is available free of charge for academic, government and industrial organizations.

Try it!

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