Exscientia is at the forefront of Artificial Intelligence (AI) driven drug discovery.  Our AI driven systems actively learn best practice from vast repositories of drug discovery data and are further enhanced with knowledge acquired from seasoned drug hunters.

To increase the number of highest quality candidate compounds that enter clinical trials in order to improve standard of care in key therapeutic areas.

Our innovative Centaur approach, combining the very best of AI techniques with the expertise of seasoned drug hunters, offers a fundamental shift in the way the Hit to Candidate molecule discovery process is implemented.


We are seeking an experienced chemoinformatics developer to build the next generation of our AI-based drug discovery platform. Reporting to the head of chemoinformatics you will be working in a multi-centre, multi-disciplinary team implementing algorithms to automate the design stage of the design-make-test drug discovery cycle. This role will be based in our Oxford office.

Our team works on the interface of industrial medicinal chemistry and computer science and you have solid knowledge of both. There is no one way to get into this field but likely you have a degree in a chemical science and you have learned to write readable and durable code that runs as part of a platform, not only as a stand-alone script. You are fluent in core chemoinformatics skills like how to store a molecular structure in a computer readable file, derive descriptors from structures, calculate similarity, build a QSAR or categorical model, enumerate a virtual library, write a substructure query, etc. You know how during drug discovery medicinal chemists design new molecules and you are itching to automate that thinking.

In this role you will be expected to show initiative and use your technical foundation and creativity to expand and improve the Exscientia drug discovery platform. As an integral member of a successful startup company you will be able to acquire new skills and thrive as a team player in a fast-paced environment. You will also have the opportunity and be expected to have flexibility to assist with other aspects of company work.

Key responsibilities

  • Design, develop, test, deploy, maintain and improve our design algorithms.
  • Work with our software engineers to continuously improve our technology platform.
  • Work with our drug designers to translate feedback back into algorithmic improvements.
  • Stay informed on new technology developments, analyse them for potential benefits to our platform and devise plans for their implementation.


Core skills

  • The applicant is likely to have 5+ years experience of pharmaceutical (industrial) chemoinformatics.
  • Record of designing new algorithmic solutions.
  • Advanced skills in Pipeline Pilot or equivalent tool.
  • Possess good code hygiene.
  • Working proficiency and communication skills in verbal and written English.


Qualifications and desirable experience

  • MSc degree or equivalent industry experience required in Computer Science or related subject.
  • Comfortable working with relational databases and SQL
  • Any additional knowledge of software development, data science, machine learning, multi-dimensional optimisation, decision theory, DOE, operational research or the like is highly sought after.
  • Interest in drug discovery and the pharmaceutical industry.


Exscientia offers a varied and interesting working environment and candidates will join a small, expanding team and will experience the excitement and sense of accomplishment presented by an innovative start-up.  We offer a competitive salary and benefits package commensurate with qualifications and experience. 

Applicants must be able to demonstrate proof of the right to work in the United Kingdom.

Please visit our website at www.exscientia.co.uk to discover more about the company. Or alternatively, apply for this position by submitting a covering letter with curriculum vitae including the names and contact details for two referees.  Please send your application in pdf format, to jobs@exscientia.co.uk stating job reference number 2017_6_Cheminformatics Developer.  The closing date for applications is 9th February 2018.

Strictly NO agencies.