Drug Discovery Lead

3 days ago

London, Greater London, United Kingdom BenevolentAI Full time
Role Overview

We are seeking a highly experienced Senior Principal Cheminformatics Data Scientist to join our Cheminformatics & Computational Chemistry team as a key leader in advancing small molecule drug discovery programmes. This is an exciting opportunity for a talented individual with a strong background in cheminformatics, data analysis, and computational modelling to drive innovation and lead a team of Cheminformaticians.

The ideal candidate will have a deep understanding of computer-aided drug design techniques, including virtual screening, reaction and fragment enumeration, de novo design, and chemical library design and sampling. They will also possess extensive experience in processing chemical and biological data from various sources, such as ChEMBL, SureChEMBL, and PubChem.

Key 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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