Cheminformatics Expert

Cheminformatics Expert

Job Description

ONE Global Discovery Chemistry Community working across 7 disease areas at the Novartis Institutes for BioMedical Research (NIBR) is seeking a highly talented and motivated cheminformatics expert to join our Global Discovery Chemistry Department in Cambridge, MA. The successful candidate will join an energizing and collaborative research organization, working alongside colleagues who are committed to improving human health through the discovery of transformative medicines.

We are seeking a unique cheminformatics expert with the skills, experience and passion to transform the combination of chemical and biological information into new knowledge and disruptive insights. You will be a member of our global Computer-Aided Drug Discovery (CADD) group, an interdisciplinary team of expert molecular modelers, cheminformaticians, and data scientists. In this role, you will work with and guide other domain experts to develop and improve novel as well as classical cheminformatics and data science approaches. You will also embedded into drug discovery teams to uncover insights to real-world drug discovery problems and innovate paths to new medicines.

Your responsibilities include:
• Develop tools and workflows for conducting comparative analysis among Novartis’ diverse data sources as well as generalizing and speeding up cheminformatics and CADD approaches developed in-house as well as externally.
• Implement methods for extracting patterns and correlations from both internal and external data sources using cheminformatics toolkits
• Enable open-source solutions (databases, toolkits and methods) for internal use and implement cutting-edge published scientific methods.
• Interact with interdisciplinary project teams to drive effective decision-making by mining of predictive models
• Work as part of a global group of cheminformatics experts and data scientists and guide local experts to execute on the global digital strategy
• Keep ahead of scientific literature and interact with internal and external scientists to integrate novel data science technologies

The Novartis Group of Companies are Equal Opportunity Employers and take pride in maintaining a diverse environment. We do not discriminate in recruitment, hiring, training, promotion or any other employment practices for reasons of race, color, religion, gender, national origin, age, sexual orientation, marital or veteran status, disability, or any other legally protected status.

Minimum requirements


Advanced degree (M.Sc. or higher) in cheminformatics, computer sciences, mathematics, computational chemistry, computational biology, bioinformatics, data science and machine learning, statistics, computational biology, bioinformatics, or related field.

Minimum experience & skills:

• Proven track-record to work with and develop modern and classical cheminformatics methods
• In depth experience with open-source cheminformatics toolkits such as RDKit
• Strong programming experience (preferred Python, R, C++) preferably in Linux and high-performance computing environments
• Hands on experience with web services, database integration and the integration of open-source code to produce solutions in a global enterprise environment ranging from fast prototyping to production quality level
• Provided leadership for ad-hoc data analysis, visualization and statistical support in different areas of the drug discovery process
• Experience to closely interact with and understand scientific software engineers and other experts in the fields of computer science
• Good listener - strong, concise, and consistent written and oral communication
• Proven ability to collaborate with others
• A passion for tackling challenging problems and developing creative solutions
• A drive for self-development with a focus on scientific know-how

Additional qualifications that will help in the role:
• Hands on experience with machine learning libraries, such as scikit-learn, PyTorch or similar in a cheminformatics context
• Working experience with data analysis software such as Spotfire, R-shiny, KNIME or similar
• Working experience with source-code management systems such as Git/github/bitbucket
• Familiar with the foundational concepts in molecular biology, pharmacology or medicine. Working knowledge of medicinal chemistry and drug discovery is a plus
Global Discovery Chemistry
Cambridge, MA
Research & Development
Full Time