Sr. Scientist to Associate Director, Chemiformatics

Incyte is a biopharmaceutical company focused on the discovery, development, and commercialization of novel medicines to meet serious unmet medical needs in oncology and inflammation and autoimmunity. Incyte is committed to the rigorous pursuit of research and development excellence to improve the lives of patients, make a difference in health care, and build sustainable value.

The Company strives to discover and develop first-in-class and best-in-class medicines-advancing a diverse portfolio of large and small molecules.

Job Summary (Primary function)

Incyte is seeking a knowledgeable and self-motivated Cheminformatics Scientist with a strong track record in applying AI/ML techniques to molecular design. The successful candidate will join our Computational Chemistry group within the Discovery Chemistry organization. This role provides a unique opportunity to innovate and advance AI/ML technologies at the forefront of computer-aided drug design.

The ideal candidate will have extensive experience in computational methods, with a particular focus on cutting-edge machine learning approaches applied to chemical and biological data. Key responsibilities include developing, optimizing, validating, and deploying innovative ML methods for generative molecular design while creating effective ranking strategies based on retrosynthetic accessibility and bioactivity predictions. The role involves identifying and implementing AI/ML solutions to accelerate the drug discovery process.

A strong foundation in cheminformatics and machine learning is essential, as is the ability to collaborate effectively with colleagues across diverse disciplines, including chemistry, biology, machine learning scientists, and IT. These collaborations aim to accelerate drug discovery, driving progress from hit identification through to candidate selection. Incyte offers access to state-of-the-art modeling, simulation software alongside advanced computing infrastructure and rich datasets. This position provides the right candidate the opportunity to contribute to drug discovery in a dynamic, creative, and collaborative environment that values innovation and excellence.

Essential Functions of the Job (Key responsibilities)

* Develop, optimize, validate, and deploy innovative ML methods for generative molecular design

* Develop cheminformatics approaches to help lead optimization and hit identification workflows

* Maintain internal ML models for QSAR predictions

* Work collaboratively with colleagues to develop and deploy solutions to accelerate drug discovery

Qualifications (Minimal acceptable level of education, work experience, and competency)

• BS, MS, or PhD in Chemistry/Computer Science/Machine Learning/ Cheminformatics/Chemical Engineering or related education with typically 10+ years (BS), 8+ years (MS), or 0-3+ years (PhD) and experience developing machine learning models related to chemical and biological data.
• Proven expertise in AI/ML-enabled molecular generation and QSAR predictions
• Strong publication record in cheminformatics
• Familiarity with modern deep learning architectures including GNN, CNN, RNN, Transformers, GCNN and MPNN, and machine learning paradigms such as generative models, GAN, and active learning
• Hands-on-experience with deep learning platforms such as Pytorch, TensorFlow, or Keras
• Proficient in Python programming, with experience in data science stack (Numpy, Pandas, Scikit-learn, and other related scientific libraries
• Ability to implement, debug, and maintain computational tools in common programming languages (Python) and proficiency with cloud computing capabilities are preferred
• Result oriented personality with excellent analytical skills, capable of independently developing solutions
• Excellent ability to communicate clearly and concisely with colleagues and collaborators including an ability to explain complex ideas to non-specialists
• Excellent verbal and written communication skills.

Disclaimer: The above statements are intended to describe the general nature and level of work performed by employees assigned to this job. They are not intended to be an exhaustive list of all duties, responsibilities, and qualifications. Management reserves the right to change or modify such duties as required.

Incyte Corporation is committed to creating a diverse environment and is proud to be an equal opportunity employer.

We Respect Your Privacy

Learn more at: http://www.incyte.com/privacy-policy

The Incyte hiring organization processes your personal data to manage your job application in order to enter into an employment relationship with you if you are the successful candidate.

During the process, you may be asked to respond to questions that will screen out your application if you do not meet certain objective criteria required by the job. You can learn more about this process here.

You may have the right to access, delete, restrict, edit, move, or object to the use of your personal data. You may also have a right to report concerns to the authority responsible for data privacy in the country where the position is based or where you live or work.

You can learn more about Incyte's data protection practices here. By accessing this link you can learn about the types of personal data we collect, how we use it, whether collection and processing is optional, sources of the personal data we process, how it is shared, where it is stored or transferred to, how long we keep it, and contact information for Incyte, Incyte's data protection officer, and your supervisory authority (if applicable).

Please contact privacy@incyte.com if you have any questions or concerns or would like to exercise your rights.