Lead Computational Chemist

3 days ago


London, Greater London, United Kingdom BenevolentAI Full time
Job Description

We are seeking a highly experienced Senior Principal Cheminformatics Data Scientist to join our Cheminformatics & Computational Chemistry team. The ideal candidate will have a strong background in cheminformatics, data analysis, and computational modelling, with a deep understanding of computer-aided drug design techniques.

Responsibilities:

  • Lead the development of innovative approaches to expand our cheminformatics capabilities and drive long-term strategic thinking within the team.
  • Collaborate with medicinal and computational chemists to develop data and modelling pipelines that advance our small molecule drug discovery programmes.
  • Apply a wide range of computer-aided drug design techniques to identify and develop small molecules, including virtual screening, reaction and fragment enumeration, de novo design, and chemical library design and sampling.
  • Gather, analyse, and report on biochemical data from various sources to derive novel insights into SAR and SPR.
  • Build, evaluate, and deliver QSAR models to support our small molecule Drug Discovery programmes.
  • Develop processes and customisable workflows that can be adapted and applied across the drug discovery portfolio.

Requirements:

  • PhD or equivalent in Chemoinformatics, Computational Chemistry, Molecular Modelling, or a closely related field, with extensive experience in computer-aided drug discovery.
  • Detailed knowledge of cheminformatics approaches and their application to live drug discovery projects.
  • Extensive practical experience in computer-aided drug design, including compound library design, similarity and substructure searching, virtual screening, reaction enumeration, molecular fragmentation, R-group analysis, and combinatorics.
  • Practical experience in developing, deploying, and applying machine learning and QSAR modelling techniques to chemical and biological data.
  • Strong programming skills, familiarity with open-source cheminformatics libraries, and experience with cloud computing platforms.
  • Innovator of new ideas and approaches in cheminformatics and computational chemistry, with excellent communication and leadership skills.

Estimated Salary: £90,000 - £110,000 per annum



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