Chemoinformatician (Principal Scientist Associate Director)

OMass Therapeutics; Oxford; On-site; GBP 50,000 - 70,000; Full time

Job summary

A UK biotechnology company is looking for an experienced Chemoinformatician to join its team in Oxford with hybrid working options. The successful candidate will leverage extensive computational chemistry expertise to tackle drug discovery challenges and contribute to ambitious projects. Key qualifications include a PhD in Chemoinformatics, extensive experience in drug discovery processes, and proficiency in cheminformatics methods and scripting languages. The company offers an attractive benefits package and values collaboration and scientific excellence.

Benefits

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 with 6% employer contribution

Learning and Development Opportunities

Company social events

Qualifications

• PhD or equivalent in Chemoinformatics, Computational Chemistry, or related field.
• Detailed knowledge of chemoinformatics methods and their applications.
• Extensive experience in drug discovery processes.

Responsibilities

• Lead chemoinformatics and computational modeling projects.
• Develop cheminformatics capabilities and strategies.
• Publish findings and present at conferences.

Skills

Computational Chemistry knowledge

Scripting languages (e.g., Python)

Machine learning techniques

Expertise in cheminformatics methods

Excellent communication skills

Education

PhD in Chemoinformatics or related field

Tools

RDKit

Schrodinger software

Job 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.