Senior Principal Cheminformatician

£90000 - £105000 per annum
  1. Permanent
  2. Informatics
  3. United Kingdom
London, England
Posting date: 14 Nov 2023

This vacancy has now expired. Please see similar roles below...

I am exclusively partnered with a London based AI Drug discovery biotech who focuses on AI and machine learning algorithms to analyse vast amounts of biomedical data and identify potential treatments for various diseases. They aim to accelerate the drug discovery process by leveraging advanced technologies to uncover new insights and solutions in the field of life sciences.

You will be a key player and have significant leadership within the team. You will apply your knowledge in cheminformatics, data analysis and computational modelling skills to advance the small molecule drug discovery programmes. Collaborating closely with cheminformaticians and medicinal chemists, you will oversee the data and modelling pipeline delivery, recognise, and utilise cutting-edge technology, and utilise cutting edge CADD methodologies.

Essential skills:

  • A Ph.D. or equivalent in Chemoinformatics, Computational Chemistry, Molecular Modelling or a closely related field.
  • Demonstrable experience in chemoinformatics techniques and how they are used in ongoing drug development initiatives.
  • Practical knowledge of computer-aided drug design techniques.
  • Strong grasp of best practises and hands-on expertise creating, implementing, and utilising QSAR models for small molecule drug discovery.
  • Strong and measurable technical and programming skills (Python), as well as familiarity with both proprietary and open-source cheminformatics libraries, such as RDKit or other tools.


  • Lead the computational chemistry support for several drug development projects, collaborating closely with the project team, medicinal chemists, and cheminformaticians.
  • Utilise a variety of computer-aided drug design methods, such as virtual screening, reaction and fragment enumeration, de novo design, and chemical library creation and sampling, to find and create small molecules.
  • Create, assess, and distribute QSAR models to help project teams utilise them and to further our small molecule drug discovery activities.
  • Provide procedures, adaptable workflows, and computational methods that can be used throughout the drug development process.
  • Help establish the computational team's long-term strategic thinking and contribute to the growth of our technical cheminformatics skills.
  • Share knowledge and provide mentorship and/or line-management.

High valued extra skills:

  • Knowledge of 3D ligand/structure based modelling techniques.
  • Experience creating, developing and applying machine learning methods (Python packages).
  • Knowledge of software development concepts.

If you are having difficulty in applying or if you have any questions, please contact Erin Blank at +44 203 398 6640.

Proclinical is a specialist employment agency and recruitment business, providing job opportunities within major pharmaceutical, biopharmaceutical, biotechnology and medical device companies.

Proclinical Staffing is an equal opportunity employer.