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Senior Cheminformatics Data Scientist at BenevolentAI

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  • London
  • fulltime

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

We are looking for an experienced Senior Chemoinformatics Data Scientist with demonstrable expertise in drug discovery project work to apply state of the art methods to positively impact the advancement of our small molecule Drug Discovery programmes.

You will contribute to a high performing cross-functional team that seek to apply their knowledge to a diverse range of programmes from Target Identification through to Hit ID, Hit Expansion and Lead Optimisation.

We’ve assembled an exceptionally diverse, talented and spirited team who sincerely enjoy coming to work every single day to bring their ideas and a real passion for new technology and medical discovery. You will work alongside recognised thought leaders at the cross-section of Machine Learning, Chemistry data and Drug Discovery.

You will apply your skills and experience to advance the drug discovery programmes in our portfolio. This includes devising computational solutions to project-specific challenges and applying new and existing technologies to support the needs of our wider portfolio.


Primary Responsibilities:
  • Lead the cheminformatics and computational modelling support for several drug discovery projects, working closely with medicinal and computational chemists, and the rest of the project team.
  • Play an integral role in efficiently and effectively transitioning projects from target identification into active drug discovery chemistry projects.
  • Develop processes, customisable workflows and computational techniques that can be adapted and applied across the drug discovery portfolio.
  • Collaborate and communicate effectively with members of the Chemoinformatics, Computational Chemistry, Bioinformatics, Drug Discovery, Artificial Intelligence, Data Science, Engineering, UX and Product teams to deliver BenevolentAI corporate strategic goals.
  • Nurture talent at BenevolentAI by sharing experience and offering a mentoring role, where appropriate.

We are looking for someone with:
  • PhD in Chemoinformatics, Computational Chemistry, Molecular Modelling or a closely related field.
  • A solid understanding of Chemoinformatics approaches and their application to live drug discovery projects, and being able to objectively design scientifically-merited experiments.
  • 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.
  • Strong in at least one programming language, preferably Python.
  • Strong and demonstrable programming and technical skills and familiar with open source and proprietary Chemoinformatics libraries e.g. RDKit or other leading industry toolkits.
  • Experience in commercial tools, such as those from Schrodinger, ChemAxon, and KNIME.
  • Capable of processing and deriving novel insights from large chemical data resources, e.g. ChEMBL, SureChEMBL, and PubChem.
  • Innovator of new ideas and approaches in the Chemoinformatics and Computational Chemistry fields of research, as demonstrated by appropriate papers, presentations, or code contributions to open source projects.
  • Excellent communicator, especially when working with colleagues from other specialities.

About us

BenevolentAI (AMS: BAI) is a leading, clinical-stage AI-enabled drug discovery company listed on the Euronext Amsterdam stock exchange. Through the combined capabilities of its AI platform, scientific expertise, and wet-lab facilities, BenevolentAI is well-positioned to deliver novel drug candidates with a higher probability of clinical success than those developed using traditional methods. BenevolentAI has a consistently proven track record of scientifically validated discoveries. The BenevolentAI Platform™ powers a growing in-house pipeline of over 20 disease programmes, spanning from target discovery to clinical studies, and it maintains successful collaborations with AstraZeneca, as well as leading research and charitable institutions. BenevolentAI is headquartered in London, with a research facility in Cambridge (UK) and a further office in New York.

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.


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 thinks about life at Benevolent. You can also find out more about us on LinkedIn and Twitter.

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