Principal Scientist, Cheminformatics, Machine Learning in Drug Discovery

At Bristol Myers Squibb, we are inspired by a single vision - transforming patients’ lives through science.In oncology, hematology, immunology and cardiovascular disease - and one of the most diverse and promising pipelines in the industry - each of our passionate colleagues contribute to innovations that drive meaningful change. We bring a human touch to every treatment we pioneer. Join us and make a difference.

The Cheminformatics team within Bristol Myers Squibb is seeking an exceptional scientist with an interest in the application of cheminformatics, artificial intelligence, and machine learning for molecular design. In this role, the selected candidate will use cutting edge techniques to accelerate the drug discovery process from hit identification through candidate nomination. The scientist must have a broad knowledge of modern data science methods with an emphasis on machine learning to advance multi-objective molecular design efforts. Key objectives for this position will be to identify and use machine learning methods to drive chemical structure optimization within the context of therapeutic projects and to enable other scientists within the team to benefit from those tools and methods in their projects.

The selected candidate will join a research team with a track record of pipeline impact across modalities and across therapeutic areas. This is an exciting opportunity as we combine the best of physics-based modeling with data analytics and machine learning to accelerate drug discovery and bring benefit to patients.

Background Requirements:
  • Ph.D. in relevant fields with a focus in Cheminformatics, Artificial Intelligence or Machine Learning development and applications to molecular design. At least 5 years of postdoctoral experience or commensurate career experience.
  • Experience in machine learning or artificial intelligence work is critical, with cheminformatics, computational chemistry, and/or molecular modeling experience a plus.

Scientific/Technical/Functional Skills:
  • Proficiency in programming and scripting languages such as Python, C/C++, and/or R etc.
  • Expertise in a subset of machine learning and cheminformatics libraries, such as TensorFlow, Keras, PyTorch, Pandas, Scikit-Learn, DeepChem, RDKit or OEchem is essential.
  • Sensitive to data. Critical assessment of experimental data and combinations of different data sets. Incorporate data knowledge into development and application of suitable machine learning algorithms to produce meaningful predictive models.
  • This position will be operating in a multidisciplinary environment and a willingness to collaborate across functional teams is essential.
  • An aptitude and desire to learn and apply new techniques is expected as well as personal attributes of integrity, creativity, problem solving, and a strong work ethic.
  • Excellent communication skills are a must.
  • Track record of publications on peer-reviewed scientific journals.


Around the world, we are passionate about making an impact on the lives of patients with serious diseases. Empowered to apply our individual talents and diverse perspectives in an inclusive culture, our shared values of passion, innovation, urgency, accountability, inclusion and integrity bring out the highest potential of each of our colleagues.

Bristol Myers Squibb recognizes the importance of balance and flexibility in our work environment. We offer a wide variety of competitive benefits, services and programs that provide our employees with the resources to pursue their goals, both at work and in their personal lives.

Our company is committed to ensuring that people with disabilities can excel through a transparent recruitment process, reasonable workplace adjustments and ongoing support in their roles. Applicants can request an approval of accommodation prior to accepting a job offer. If you require reasonable accommodation in completing this application, or any part of the recruitment process direct your inquiries to adastaffingsupport@bms.com. Visit careers.bms.com/eeo-accessibility to access our complete Equal Employment Opportunity statement.

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