Cheminformatics Lead Research Scientist - Chemical Insights Research Institute II
$119,260–$163,983 year
On-siteMorrisville, North Carolina, United States
Job Summary
Design and implement cheminformatic research initiatives linking chemical structure to hazard and exposure data. Lead development of curated databases containing structural representations, identifiers, and physicochemical properties. Develop advanced workflows for descriptor calculations, taxonomy, and machine learning models predicting toxicological and exposure-related properties. Manage chemical curation efforts and collaborate with toxicologists to support cross-disciplinary data analysis. Write clean, documented code and present findings at conferences while mentoring junior researchers.
Required Qualifications
- 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
- 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
- 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
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