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Research making an impact

Feed waste

Re-using plant and waste feedstocks

We're building an information system to aid the transformation of plant and waste feedstocks into usable products.

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Understanding Alzheimer’s and developing treatments

We’re developing tools to help understand the role of cellular prion protein in Alzheimer’s Disease, so that we can develop drugs to diagnose and treat this increasingly prevalent and debilitating condition.

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Computational tools

Building industry standard tools

We developed software to identify molecules that are biologically active and therefore potentially of use in medicine. The software is used across the pharmaceutical industry.

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Dr Bob Clark, Sr. Research Fellow at Simulations Plus, Inc., gave a tribute to Professor Peter Willett at the recent International Conference on Chemical Structures - watch it here.

Our research themes

  • Virtual Screening Methods
  • De Novo Design
  • Applications of chemoinformatics techniques to drug discovery problems

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Current projects and research areas

  • De novo design of novel drug compounds
  • Assessing errors in machine learning methods



Chemo group in Netherlands

Professor Val Gillet and the Chemoinformatics Research Group at the Internationl Conference on Chemical Structures in The Netherlands, May 2018.

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Funders and collaborators

Research carried out within this group is funded by a wide range of organisations

  • AstraZeneca
  • Biotechnology and Biological Sciences Research Council (BBSRC)
  • GlaxoSmithKline
  • Engineering and Physical Sciences Research Council (ESPRC)
  • Eli Lilly
  • Lhasa Limited
  • European Commission
  • Parkinson's UK
  • Technology Strategy Board/Innovate UK
  • Unilever
  • Evotec