Computational Chemistry


We have extensive experience in numerous therapeutic areas, gained within big pharma, biotech and academic research groups. Services offered include:

  • Computational chemistry support for medicinal chemistry projects
  • Library design service
  • “Analogue-by-catalogue” similarity searches – sourcing can be arranged
  • Chemoinformatics (e.g. SMARTS & SMILES handling, databases, application development etc)
  • Metabolic liability prediction (site of metabolism, inhibition/substrate prediction)
  • Advice on computational chemistry matters (software available, technology transfer opportunities etc)
  • Creation of animated “videos” of computational chemistry simulations, for educational or promotional purposes (useful for presentations to investors!)
  • Validation studies on software or methodology for evaluation purposes
  • Due dilligence studies
  • Training of chemists or computational chemists
  • Marketing of computational chemistry to customers/partners
  • Help with recruiting
  • Maternity/illness cover

Contact us to learn more about how CompChem Solutions’ computational chemistry services can help your research.

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