Join us.


Computational Medicinal Chemist

With over 35 nationalities and a range of backgrounds represented in our Benevolent team, we aim to build an inclusive environment where our people can bring their authentic selves to work, be respected for who they are and the exceptional work they do. We welcome and actively encourage applications from all sections of society and are committed to offering equal employment opportunities regardless of sex, race, religion or belief, ethnic or national origin, marital, domestic or civil partnership status, sexual orientation, gender identity, parental status, disability, age, citizenship, or any other basis. We see our diversity as an asset as we tackle challenging problems that bridge the gap between drug discovery and technology.


The Role

The Early Discovery Chemistry Team supports the validation of our AI-derived target predictions and oversees their entry into our drug discovery portfolio. We are looking for a highly innovative, engaging and pro-active scientist with experience in both medicinal and computational chemistry to join our multidisciplinary team.

The role bridges across Drug Discovery and technology teams, linking chemists and biologists with data scientists, NLP researchers, AI scientists and software engineers to create the next generation of innovative computational tools to revolutionise target selection and validation.

The role is located at our London headquarters and is non-lab based.

Primary Responsibilities

  • Lead the medicinal chemistry on multiple projects in Target ID, including chemogenomics, deconvolution of biological assay data, and portfolio feasibility assessments.
  • Lead the computational assessment of tractability and selectivity of prospective targets for portfolio entry.
  • Support the ongoing development of our target assessment products, including our automated structural bioinformatics platform.
  • Develop innovative workflows to bring together data from different sources to automate and facilitate Early Discovery Chemistry activities.

We are looking for someone with

  • A PhD or equivalent experience in medicinal chemistry, organic chemistry, chemical biology, or computational chemistry.
  • 5+ years experience in an industrial setting applying medicinal chemistry expertise to the successful advancement of drug discovery projects to key milestones.
  • Competency and a keen interest in the application of structure-based computational approaches to medicinal chemistry projects.
  • A desire to be self-motivated, proactive, innovative, with the ability to devise and implement solutions in a timely manner.
  • Excellent communication skills with a desire to work in multidisciplinary teams.
Nice to Haves:
  • Familiarity with the evaluation of prospective drug targets.
  • Experience with computational chemistry software, such as protein structure viewers, ChemAxon toolkits, RDKit, and KNIME.
  • Experience in the use of open source and proprietary databases, such as ChEMBL, PubChem, PDB, Uniprot, AlphaFoldDB, Dotmatics, LiveDesign and OpenTargets.
  • Proficiency in at least one programming language, preferably Python.

We share a passion for being part of a mission that matters, and we are always looking for curious and collaborative people who share our values and want to be part of our journey.  If that sounds like a fit for you, hit the apply button and join us.

About us

BenevolentAI unites AI with human expertise to discover new and more effective medicines. Our unique computational R&D platform spans every step of the drug discovery process, powering an in-house pipeline of over 25 drug programmes. We advance our mission to reinvent drug discovery by harnessing the power of a diverse team, rich with different backgrounds, experiences, opinions and personalities.  In our offices in London and New York and research facility in Cambridge (UK), we work in highly collaborative, multidisciplinary teams, harnessing skills across biology, chemistry, engineering, AI, machine learning, informatics, precision medicine and drug discovery.

Want to do a little more research before you apply?

Head over to our Glassdoor page to learn about our benefits, culture and to find out what our team think about life at Benevolent. You can also find out more about us on LinkedIn and Twitter.

Important Note

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