Senior Data Specialist, Modeling & Informatics

Job Description

Position Description

We are seeking an exceptional and highly motivated informatician to join the Cheminformatics group within Modeling and Informatics (M&I) at our company. This role requires strong interpersonal and problem-solving skills and experience working in a cross-functional team environment. It involves both the development of innovative computational methods involving AI/ML and cheminformatics, as well as direct application of advanced computational approaches to the invention of novel medicines.

M&I is an inclusive team within our Research & Development Division Discovery Chemistry organization, comprising approximately 50 computational chemists, cheminformaticians, and data scientists. We leverage cutting-edge capabilities in structure-based modeling, predictive science, and AI/ML to drive drug design and development globally, with a proven track record of pipeline impact. The selected candidate will work closely with the M&I team, our world-class chemistry teams, as well as cross-functionally with experimental and computational colleagues in the early target discovery space on innovative science that has a wealth of opportunities to impact drug discovery and ultimately save and improve patient lives.

Key responsibilities will include:

• Implement and apply effective AI/ML and cheminformatics workflows to impact early target discovery space data analysis.
• Analyze, interpret, and summarize complex chemical biology data and utilize a variety of data visualization tools to communicate findings.
• Deliver optimized informatics algorithms and workflows to expedite drug discovery pipelines in the early target discovery space for small molecules, peptides, and targeted protein degraders.
• Leverage novel ML, statistics, and cheminformatics techniques to improve hit identification for different screening paradigms.
• Analyze and integrate internal and external knowledge to facilitate biological and chemical signature identification.
• Proactively engage with cross-functional teams of experimental and computational scientists and collaborate effectively to advance project and pipeline goals
• Continue research in areas of AI/ML and cheminformatics relevant to drug discovery, and evaluate new technology and software from commercial sources, open innovation, or external collaborations.
• Effectively communicate scientific results internally and externally through presentations and publications.
• Share AI/ML and/or data engineering knowledge to augment team skills and capabilities.

Position Qualifications:

Education Minimum Requirement:

Ph.D. in cheminformatics, bioinformatics, computational biology or chemistry, computer science, statistics or related STEM fields

Required Experience and Skills:

• Experience applying cheminformatics or AI/ML approaches to problem-solving in drug discovery.
• Broad understanding of modern data science methods, particularly machine learning, e.g., predictive modeling, active learning, explainable ML.
• Strong oral and written communication skills, as well as problem-solving skills.
• Track record of scientific publications in peer-reviewed journals.
• Proficiency in scripting (Python and/or R), SQL, and cheminformatics toolkits (OEChem, RDKit, DeepChem).

Preferred Experience and Skills:

• Demonstrated ability to develop and apply AI/ML to problems of chemical or biological interest.
• Experience with IT infrastructure such as database systems, cloud computing (such as Databricks, AWS), and high-performance computing in Linux environments.
• Expertise in machine learning libraries (TensorFlow, Keras, PyTorch, Pandas, Scikit-Learn).
• Experience with workflow applications and data analytics software (Pipeline Pilot, Knime, Spotfire).
• Experience with high throughput screening data analysis methods.
• Experience in chemical and biological signature identification and/or biomarker discovery.
• Familiarity with or experience with multiple therapeutic modalities (small molecules, peptides, ADCs, etc.)
• Experience working in multidisciplinary teams that include experimental scientists.

#EligibleforERP

Required Skills:

Algorithms, Biological Data Analysis, Biomarker Discovery, Biovia Pipeline Pilot, Chemical Informatics, Cheminformatics, Computational Biology, Data Analysis, Data Modeling, Drug Discovery Research, Informatics, KNIME, Machine Learning (ML), Python (Programming Language), TIBCO Spotfire

Preferred Skills:

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US and Puerto Rico Residents Only:

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As an Equal Employment Opportunity Employer, we provide equal opportunities to all employees and applicants for employment and prohibit discrimination on the basis of race, color, age, religion, sex, sexual orientation, gender identity, national origin, protected veteran status, disability status, or other…