Cheminformatics Lead Research Scientist - Chemical Insights Research Institute II

We have an exciting opportunity for a Cheminformatics Lead Research Scientist at UL Research Institutes Chemical Insights Research Institute (CIRI), based in our Morrisville, NC facility.

About the role

The Cheminformatics Lead Research Scientist develops and applies advanced cheminformatics workflows to support the UL Research Institutes' Chemical Insights mission of advancing human and environmental health. This role focuses on developing requisite datasets and databases for characterizing chemicals with potential human exposure, including structure-based predictions for physiochemical properties, toxicological responses, toxicokinetic properties, and exposure-related functional uses. The role works closely with CIRI scientists and external collaborators to deliver high-quality scientific outputs that inform chemical safety, risk assessment, regulatory policy, and public awareness.

About UL Research Institutes

At UL Research Institutes (ULRI), we expand the boundaries of safety science to create a more secure and sustainable world. For more than a century, we have studied the unintended consequences of innovation, designed solutions to mitigate risk, and shared our findings with academia, scientists, manufacturers, and policymakers across industries. We identify critical safety and sustainability issues, asking the tough questions because we believe a safer world begins with knowledge.

About Chemical Insights Research Institute (CIRI)

The Chemical Insights Research Institute (CIRI) contributes to the protection of public health and well-being by conducting scientific research. Our research and initiatives let people around the world know what chemicals are in the air we breathe and how they affect human health and the planet. We share our research and knowledge through information and application tools with leaders in the scientific, business, and policy communities to raise awareness of human health risks stemming from emerging technologies.

Responsibilities

• Design and implement innovative cheminformatic research initiatives linking chemical structure and physical properties to hazard and exposure.
• Lead development of curated databases containing chemical structural representations, chemical identifiers, and physicochemical properties to expand understanding of chemicals with potential human exposure.
• Develop and apply advanced cheminformatic workflows to create chemical structural representations, descriptor calculations, chemical taxonomy/classification, and physicochemical properties, working with software and data engineers to ensure reproducibility.
• Lead and manage chemical curation efforts, both manual and computational, and collaborate with analytical chemists to incorporate curated chemical structures and properties into non-targeted analysis workflows.
• Collaborate with and support toxicologists, exposure scientists, and toxicokinetic scientists to provide high-quality chemistry information for linking cross-disciplinary data and computational modeling.
• Build machine learning-based quantitative structure-activity relationship models for physicochemical properties, analytical chemistry, toxicological endpoints, toxicokinetic properties, and exposure-related functional uses as needed.
• Provide scientific and technical expertise in chemistry and cheminformatics to support chemical safety research projects, chemical prioritization efforts, and the development of software applications and decision-support tools.
• Write clean, maintainable, and well-documented code, following best practices and coding standards.
• Stay current with emerging trends, technologies, and scientific literature in cheminformatic methods and workflows.
• Present research findings at scientific conferences, stakeholder meetings, and technical forums, and serve as author on technical reports and peer-reviewed publications.
• Assist in writing research proposals and securing funding from internal and external sources.
• Mentor and guide junior researchers, post-doctoral scientists, and interns in cheminformatics methods, chemical curation, and computational modeling approaches.
• Perform other duties as assigned.

Work Environment

• People: Work with a diverse team of experts respected for their independence and transparency, collaborating across disciplines, organizations, and geographies.
• Interesting work: Engage in varied daily tasks, pushing the boundaries of human understanding as part of a team advancing the public good.
• Growth and achievement: Learn and grow through targeted development, reward, and recognition programs.
• Values: Four core values guide our work: collaboration, respect, integrity, and beneficence.

Benefits

• All employees are eligible for bonus compensation.
• Comprehensive medical, dental, vision, and life insurance plans.
• Generous 401k matching structure of up to 5% of eligible pay, with an additional 4% contributed to your retirement savings fund after one year of continuous employment.
• Paid time off, including vacation, holiday, sick, and volunteer days.
• Potential for flexible working arrangements, depending on role.

Requirements

• Expert-level knowledge in chemistry, cheminformatics, and related scientific disciplines.
• Expert understanding of molecular structure representations, descriptor calculation, and chemical taxonomy/classification.
• Demonstrated contributions related to chemistry topics relevant to toxicology, exposure science, non-targeted analysis, or toxicokinetics.
• Proficiency in Python, R, and/or Java, along with experience using or creating SQL, noSQL, or other database solutions.
• Demonstrated ability to independently execute cheminformatic workflows and oversee all research project phases from design to dissemination.
• Proven track record of publishing in peer-reviewed journals and presenting at scientific meetings.
• Ability to clearly communicate complex chemistry and cheminformatic concepts to diverse technical and non-technical audiences and translate findings into actionable insights.
• Strong problem-solving skills and the ability to integrate chemical structural and property data with broader public health research.
• Ability to collaborate effectively in multidisciplinary teams.
• Demonstrated ability to mentor and develop junior scientists, post-doctoral researchers, and interns while fostering a collaborative research environment.

Qualifications

• PhD in chemistry, computational chemistry, or a related field.
• Minimum 8 years of post-graduate experience in cheminformatics, computational chemistry, or related disciplines.
• Demonstrated experience in developing cheminformatic workflows using code to manage and utilize chemical structural representations, descriptor calculations, chemical taxonomy/classification, and physicochemical properties in chemical safety applications.
• Direct experience in chemistry sufficient to lead chemical structure and property curation.
• Experience in developing structure-based methods for selecting representative chemicals from larger chemical space.
• Experience developing machine-learning-based models for predicting hazard or physical properties from chemical structure.
• Proven track record of peer-reviewed publications, technical presentations to diverse audiences, and service on expert panels.

Pay

Salary range: $119,260.28 - $163,982.88