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Chemoinformatician (principal scientist / associate director)

Oxford
OMass Therapeutics
Principal scientist
€150,000 - €200,000 a year
Posted: 2 February
Offer description

Overview Location: Oxford with hybrid working options available
Right to work: You must have the right to work in the UK
Application deadline: 16th January 2026
Application submission: CV and cover letter via our website
Therapeutics is a biotechnology company based in Oxford discovering medicines against highly-validated target ecosystems such as membrane proteins or intracellular complexes. The companys unique OdyssION technology platform comprises novel biochemistry techniques next-generation native mass spectrometry and custom chemistry. OMass is advancing a pipeline of small molecule therapeutics in rare diseases and immunological conditions that target solute carriers complex-bound proteins and GPCRs.
We are seeking an experienced Chemoinformatician. You will be part of a dynamic and innovative environment and will become an integral part of our vision to address patients unmet needs while building Britains Biggest Biotech. You will use your computational chemistry expertise and scientific curiosity to solve drug discovery challenges as part of multi-disciplinary project teams. You will be able to work in state-of-the-art laboratory and modern facilities for optimum collaboration alongside a focused and caring team.
You will already possess expert Computational Chemistry knowledge with experience across all stages of a small-molecule drug discovery from hit ID through to candidate nomination. The role is based in our Oxford site however we are currently working a hybrid model with the option to work from home for part of the week.
To find out more about the meaningful work OMass delivers as well as our EVP you can find this here Experience Skills and Qualities
Responsibilities Promote and maintain the highest levels of scientific excellence in computational chemistry to help deliver OMass pipeline objectives
Lead chemoinformatics and computational modelling for multiple drug discovery projects collaborating closely with medicinal chemists and project teams.
Strategically develop and advance cheminformatics capabilities introducing innovative approaches and customisable workflows across the drug discovery portfolio.
Contribute to drug discovery projects by proactively applying these techniques to drive programs forward
Publish science in high quality journals and publications
Presenting on OMass projects both at internal meetings and externally at conferences
Share information openly and work collaboratively with other departments to help advance different projects and achieve company goals
Promote and adhere to OMass values of being Ambitious Responsible Innovative Focused Caring and Collaborative
Qualifications Required Experience and Skills
PhD or equivalent in Chemoinformatics Computational Chemistry Molecular Modelling or a related field with substantial experience in computer-aided drug discovery
Detailed demonstrable knowledge of a wide range of chemoinformatics methods and their application to live projects
Expert knowledge with scripting languages (e.g. Python) and familiarity with open source chemoinformatics libraries (e.g. RDKit) is required
Extensive hands-on experience with compound library design similarity and substructure searching virtual screening reaction enumeration molecular fragmentation R-group analysis and multi-parameter optimization
Proficiency in developing and applying machine learning and QSAR models with knowledge of chemical featurizers and best practices
Familiarity with deep learning frameworks (e.g. TensorFlow PyTorch) and modern machine learning techniques
Demonstrated innovation in cheminformatics or computational chemistry evidenced by publications presentations or open-source contributions
Excellent communication skills both written and verbal
Preferred Experience and Skills
Relevant experience in a biotech pharma or CRO setting
Familiarity with Schrodinger software suites in addition to a sound knowledge of chemical toolkits is preferred
Experience of chemical and biological data management systems such as Dotmatics
Database administration curation and interrogation
Understanding of modern software development practices such as containerization (Docker) GitOps and distributed computing (Kubernetes)
Experience with machine/deep learning model development and deployment
An appreciation of relevant scientific disciplines that are related to drug discovery and early development such as target validation pharmacology SBDD LBDD ADME structural biology and drug safety/toxicology
Role Responsibilities Promote and maintain the highest levels of scientific excellence in computational chemistry to help deliver OMass pipeline objectives
Lead chemoinformatics and computational modelling for multiple drug discovery projects collaborating closely with medicinal chemists and project teams.
Strategically develop and advance cheminformatics capabilities introducing innovative approaches and customisable workflows across the drug discovery portfolio.
Contribute to drug discovery projects by proactively applying these techniques to drive programs forward
Publish science in high quality journals and publications
Presenting on OMass projects both at internal meetings and externally at conferences
Share information openly and work collaboratively with other departments to help advance different projects and achieve company goals
Promote and adhere to OMass values of being Ambitious Responsible Innovative Focused Caring and Collaborative
Benefits OMass offers an excellent benefits package including:
Private Health Insurance
Health and wellbeing cashback scheme
Life Assurance and Income Protection
Participation in Employee Equity Scheme
25 days annual leave plus bank holidays
Pension Scheme offering 6% employer contribution
Learning and Development Opportunities
Company social events
Any queries relating to the role can be sent to .
OMass Therapeutics values diversity and is committed to equality of opportunity we also have full responsibility to ensure that all employees are eligible to work and live in the UK.

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