research in pharmacy and biomolecular sciences

Laboratory Facilities

QSAR research within the School of Pharmacy and Chemistry at Liverpool John Moores University enjoys excellent, state of the art, facilities.

Computation research is based in a dedicated laboratory. The QSAR and Modelling Laboratory features (click on items for more information):

• Work spaces for upto six researchers
• Hardware including
  • UNIX workstations
  • Networked PCs
• State of the art software for molecular modelling including:
  • MOE
  • Nemesis
• State of the art software for the estimation of physicochemical properties, molecular orbital calculations and structural indices including:
  • ClogP for Windows
  • EPISUITE (KOWWIN, WSKOWWIN etc)
  • TSAR for Windows
  • QSARis
  • Molconn-Z
  • HYBOT
  • MOPAC
• State of the art statistical software for QSAR and model development including:
  • MINITAB
  • MATLAB
  • SIMCA
• State of the art software for toxicity prediction including:
  • DEREK for Windows
  • ECOSAR
• A library of QSAR, computational chemistry and toxicological information, including:
  • A large number of dedicated textbooks, conference proceedings and manuals
  • In addition to the journals taken and available through the University's Learning Resource Centre, there is a large collections of the journals in the QSAR field, including:
    • QSAR and Combinatorial Science
    • SAR and QSAR in Environmental Research
    • Pest Management Science
    • Alternatives to Laboratory Animals
    • Environmental Toxicology and Chemistry (electronic access only)
    • The Pharmaceutical Journal (the most recent issues)
    • Chemistry and Industry (the most recent issues)
• Fridge, kettle, toaster, and, when Judith is in the lab, a large number of chocolate biscuits.

The facilities of the laboratory are utilised by our post-graduate students and research fellows. They are also used for teaching purposes and for Master of Pharmacy and B.Sc. (Hons) Pharmaceutical and Chemical Sciences final year projects. In addition, we have full access to the other facilities within the School of Pharmacy and Chemistry and Faculty of Science at Liverpool John Moores University e.g. for analytical chemistry, toxicity testing, pharmaceutical formulation etc.

For more details on our facilities, and how you may access them, please contact Mark Cronin.