Academic Researchers

CompChem Solutions offers a range of computational chemistry services to help academic investigators develop and evaluate their research projects in drug discovery, with the view to making them more likely to be licensed or to attract follow on funding. Our services can add value to your project in many ways, for example we can:

  • Help validate new targets through assessment of potential druggability of targets identified by cell-based screening methods
  • Predict/identify disease pathways associated with genes/targets
  • Identify new small molecules to improve properties of current chemical leads, or to serve as alternative back-up series (“scaffold hopping”)
  • Prioritise chemical structures to take into high or medium-throughput screening
  • Select commercial compounds for screening against a target
  • Predict off-target effects and predict selectivity of lead compounds
  • Improve potency and pharmacokinetic profile of lead compounds, and predict likely metabolites
  • Design constructs for crystallographic studies
  • Create 3D models of target proteins ahead of experimental, crystallographic structure determination
  • Predict what target(s) a given set of compounds are likely to hit, for drug repositioning studies.

See our recent “highly accessed” publication ( on senescence scoring for an example of how CompChem Solutions has assisted translational research.

Grant Applications

CompChem Solutions can help if you are thinking about submitting an application for a drug discovery grant, acting as a partner who can provide you with computational chemistry to complement your in-house laboratory expertise. We have been involved in successful EU and WT grant applications involving millions of pounds/Euros.

Free Initial Consultation

If you would like to talk through a project, under an appropriate CDA if required, and get a better idea of how we feel we might be able to help, we offer a free initial consultation. If you feel this would be useful contact us.

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