Cheminformatics Data Scientist

's Mission

BenevolentAI's mission is to re-engineer drug discovery and deliver life changing medicines for patients in need.

What you'll be doing

  • Building predictive models and applying innovative ideas and best practices in their generation and application to drug discovery projects.
  • Provide Chemoinformatics and compound design support and data analysis for the Drug Discovery programmes undertaken by BenevolentAI.
  • Collaborate and communicate effectively with members of the Chemoinformatics, Bioinformatics, Drug Discovery, Artificial Intelligence, Data Science, Engineering, UX and Product teams to deliver BenevolentAI corporate strategic goals.


  • PhD in the field of Chemoinformatics, Computational Chemistry, Molecular Modelling or a closely related field.
  • Good skills in at least one programming language, preferably Python.
  • A solid understanding of chemical descriptors and property predictors, including their appropriate application and potential pitfalls.
  • Applied these ideas and implemented methods for real world drug discovery related challenges.
  • Prior experience of drug discovery project support, such as implementing compound library design, QSAR, docking, virtual screening, molecular fragmentation, structure-based drug design, pharmacophore generation and analysis, or multi-parameter optimisation.
  • Basic understanding of machine learning and artificial intelligence.
  • Innovator of new ideas and approaches in the Chemoinformatics and Computational Chemistry fields of research for Drug Discovery, as demonstrated by appropriate papers, presentations, or code contributions to open source projects.
  • Capable of processing and deriving novel insights from large chemical data resources, e.g. ChEMBL, SureChEMBL, and PubChem.
  • Excellent communicator, especially when working with colleagues from other specialities.
  • (Desirable) Experience with popular machine learning libraries would be advantageous e.g. scikit-learn, PyTorch, TensorFlow.
  • (Desirable) Experience with large-scale chemical information representation, extraction, indexing, analysis and innovation.

Company Values

  • Put patients first: Everything we do is geared to getting the right medicine to the right patient, faster
  • Break boundaries: We deliberately cross traditional boundaries between technology and science, human and machine, to create unique approaches
  • Own the solution: We never hold back from contributing our point of view and taking responsibility
  • Drive to delivery: We use data to drive decision-making and deliver with the right level of validation

Company Benefits

  • Fantastic private health for you and your family.
  • Impressive mental health coverage too.
  • Generous holiday (25 days, +1 additional day up to 30 days)
  • Annual volunteering days
  • Parental leave package
  • Flexible working
Our Take On
People Progressing at
Progressed from his role as a Operations Analyst to a Finance Analyst within 9 months


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