[EN]Machine Learning / Computational Chemist

Oncodesign is a leading French biopharmaceutical company that meets the needs of innovation in the health industry through precision medicine. The company has built an industrial model of innovation to orientate new therapeutic molecules to fight cancer and other serious illnesses with no known effective treatment: through services, partnerships and licensing.

Oncodesign offers access to its drug discovery platform to qualify, at a very early stage, each molecule’s potential to become an effective therapeutic drug. Applied to kinase inhibitors, which represent a market estimated at over $46 billion in 2016 and accounting for almost 25% of the pharmaceutical industry’s R&D expenditure, Oncodesign’s technology has already enabled the targeting of several promising molecules with substantial therapeutic potential, in oncology and elsewhere, along with partnerships with pharmaceutical groups such as Bristol-Myers Squibb and UCB.

Oncodesign is based in Dijon, France, in the heart of the town’s university and hospital hub, and within the Paris-Saclay cluster, Oncodesign has 240 employees and subsidiaries in Canada and the USA.

Why will you join us?

Do you like challenges? Do you want to participate in the discovery of new effective therapies against cancer and rare diseases? Would you like to join a human-sized company recognized for its technological innovation in the service of progress in therapies?

To strengthen our CADD capabilities, Oncodesign is looking for a motivated, creative, and experienced Computational Chemist. The ideal candidate will be qualified to PhD level or a B.Sc/M.Sc. degree in a life science and be highly-skilled in small-molecule and protein modelling and cheminformatics approaches applicable to drug discovery. Experience in an industrial drug-discovery setting is highly preferred.

Oncodesign has also chosen to invest in Artificial Intelligence to make the drug discovery process faster and more reliable. This includes the use of AI technologies applied to chemistry.

Applicants should have hands-on experience of applying a wide range of computational tools and techniques, including structure based design, ligand-based design and virtual screening. This role will operate in a cross-disciplinary matrix environment and a knowledge of drug discovery processes and appreciation of key concepts from collaborating disciplines such as medicinal chemistry and biophysics is essential. The position will report to the Head of the Medicinal Chemistry department or AI business unit.

Main Roles and Responsibilities:

  • Application of problem-solving ability through a combination of personal knowledge of computational techniques with the desire to seek-out and apply novel and innovative solutions from the wider literature to help further customer projects
  • Apply ligand-based (conformational analysis, flexible alignment, etc.) or structure-based (docking, scoring, etc.) drug design approaches at all stages of the drug discovery pipeline
  • Develop fast, reaction-based and string-based enumeration techniques for screening libraries Work with chemists to design screening libraries from available building blocks and reactions
  • Develop and improve hit findings criteria that is tailored to our screening platform
  • Develop QSAR/machine learning models for understanding and predicting affinity, activity, ADME, and physiochemical properties using internal and commercial tools
  • Run virtual screening (both structure and ligand-based) and select compounds for purchase
  • Support on-going hit discovery and lead-optimization projects
  • Influence and aid the further development of our computational chemistry capabilities
  • Work alongside the business development team to identify and secure new opportunities and contribute to the preparation of scientific proposals
  • Finally, you will actively contribute to the proper functioning of your department and you will participate in the development of Oncodesign’s scientific expertise.

Who are you?

Oncodesign requires a computational chemist who is thoughtful, dynamic and can partner with the broader organization to further enhance our next generation drug discovery capabilities.
This is a hands-on work environment where everyone is accountable, everyone is vested in a vision of excellence, and everyone actively takes part in the success of the business. Oncodesign supports a positive work environment comprised of engaged employees who feel appreciated, recognized and free to be creative.

Qualifications include:

  • PhD in Computer Science, Applied Math, Computational Chemistry, or related quantitative field
  • Experience with at least one computational chemistry simulation suite (Schrodinger, MOE, etc.)
  • Experience with RDKit and at least one docking software (AutoDock Vina, rDock, etc.)
  • Experience with at least one quantum chemistry software package (Gaussian, Q-Chem, pyscf, etc.)
  • Experience with Linux environment and HPC resources
  • Proficiency in Python and the PyData stack (numpy, pandas, scipy, dask, etc.)
  • Familiarity with scikit-learn, Keras, XGBoost, and either PyTorch or TensorFlow is a plus
  • Experience with state-of-the-art machine learning methods such as Graph Convolutional Networks, Transformer architecture is a plus
  • Experience with generative models is a plus (e.g., VAE, GAN, Flow)

The successful candidate will exhibit the ability to work well under pressure to provide results in a short timeframe. Oncodesign is looking for a highly responsive, goal-oriented individual who will bring significant energy and drive to solve complex technical problems and help us achieve our mission to advance human health.



Fixed-term contract



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