Senior AI Research Scientist - Reaction Informatics


Oxford, GB / England, GB
  • Job Type: Full-Time
  • Function: Research Sci/Assoc/Mgr
  • Post Date: 05/24/2021
  • Website:
  • Company Address: , Oxford, Oxfordshire, UK

About Exscientia

Exscientia is a pharmatech company that uses an end-to-end AI platform to design and discover new drugs.

Job Description

Exscientia is at the forefront of Artificial Intelligence (AI) driven drug discovery and the only company to successfully design drug molecules entirely by AI that are in clinical studies. As a full stack AI Pharmatech, we are capable of generating our own experimental data to complement the analytical power of AI and the creativity and expertise of our world-class scientists. We aim to revolutionise the pharmaceutical industry by significantly shortening the preclinical drug discovery stage to accelerate new treatments to patients globally. Exscientia is looking for extraordinary people to join its extraordinary mission: to transform the way new medicines are discovered.
Following multiple partnerships with many leading pharmaceutical companies and research institutes, we are looking to add an experienced Senior AI Research Scientist to our team. This position is integral to support our vision of automating drug design and enabling autonomous drug discovery by closing the gap between AI-driven drug design and automated synthesis. 
In this role, you will be using your experience in AI research to lead the development of our predictive synthetic chemistry group. Working closely with our existing AI research and chemistry automation teams, you will be instrumental in the development of novel methods for predicting synthetic tractability such as retrosynthesis.
This role is a great fit for scientists that are passionate about automating chemistry and developing cutting edge technology that can and will be applied to real drug discovery projects. It is also suitable for talented individuals who just started their careers and early-stage scientists are explicitly encouraged to apply.

What you will do

    • Lead the development of predictive algorithms for synthetic chemistry and their implementation into research prototypes to test their impact on our drug discovery programs. 
    • Define research and development priorities in the synthesis informatics space including robust timelines and deliverables.
    • Work with medicinal and synthetic chemists to translate their requirements in algorithmic improvements.
    • Collaborate with AI research scientists on predictive algorithms to improve our generative molecule design efficiency.
    • Work with software engineers to integrate these algorithms into our technology platform.
    • Interact with the larger AI communities by attending conferences or workshops and writing high-impact publications.
    • Stay informed on the latest research in relevant scientific fields and analyze its potential impact on our capabilities.

What you will need

    • Master’s or PhD degree in a field related to chemistry or artificial intelligence and machine learning or a similar subject with a comparable focus on analytical skills. 
    • Research experience in the development of novel predictive and generative models using deep learning techniques such as Transformer architectures.
    • Good knowledge of computer science algorithms and particularly those used for heuristic searches.
    • Advanced proficiency in at least one programming language that is commonly used in scientific computing and machine learning.
    • Familiarity with major machine learning frameworks such as scikit-learn or PyTorch for building machine learning models and deep neural network architectures.
    • Desire to bring novel AI research as quickly as possible into a production environment to ultimately deliver therapeutics to patients faster!

Beneficial skills and experience

    • Experience in developing AI methods for drug discovery and algorithms for synthesis prediction in particular.
    • Knowledge of drug discovery and how AI methods can be applied to improve the process.
    • Hands-on experience with best software development practices and particularly in a collaborative environment.
    • Experience with MLOps, continuous integration and deployment (CI/CD) frameworks.
    • Open source contributions or publications in academic journals demonstrating experience in developing machine learning techniques to solve scientific problems.

Reasons for joining us

    • Making a positive contribution to patients by revolutionising the pharmaceutical industry through AI-driven discovery. 
    • Kick-start or further grow your career - at Exscientia, you will have the opportunity to acquire valuable skills, work on problems that matter, and learn from world-class technical and scientific leaders.
    • Highly competitive compensation as we continue to grow and thrive.
    • Funding for professional development and conference attendance. 
    • Opportunity to join an inclusive, collaborative and intellectually stimulating culture.
Exscientia embraces equal opportunity and is committed to providing a diverse and inclusive community where everybody feels welcome. We welcome applications from all people regardless of background.

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Disclaimer: Local Candidates Only
This company does NOT accept candidates from outside recruiting firms. Agency contacts are not welcome.