Skip to Content

Staff Scientist - Computational Chemistry

National Institute of Environmental Health Sciences, Research Triangle Park, North Carolina

Position Description:

The National Toxicology Program (NTP) Interagency Center for the Evaluation of Alternative Toxicologic Methods (NICEATM) in the National Institute of Environmental Health Sciences (NIEHS), National Institutes of Health (NIH), Research Triangle Park, North Carolina is recruiting a Staff Scientist under the leadership of Nicole Kleinstreuer, PhD. NICEATM provides scientific support to Division of the National Toxicology Program (DNTP) via interactions with the various DNTP offices and branches, including the Tox21 efforts. As its primary function, NICEATM provides scientific and administrative support to the Interagency Coordinating Committee on the Validation of Alternative Methods (ICCVAM), ensures compliance with all statutory duties of the ICCVAM, and develops and validates improved toxicology methods as detailed in the ICCVAM strategic roadmap (

We are seeking an experienced scientist with a speciality in computational chemistry, with a strong background in cheminformatics, best practices in QSAR/QSPR modeling and chemical curation, and with experience in performing and directing computational chemistry research, in particular to support regulatory decision making. Demonstrated expertise with the integration of in silico computational approaches with in vitro toxicology and in vivo reference data for chemical prioritization and hazard characterization is essential. A successful candidate is expected to lead, develop, manage, and coordinate scientific and operational activities related to the development, validation, and use of proposed computational testing methods; develop strategies with appropriate programmatic, interagency, and international committees and organizations; and will represent DNTP and ICCVAM at national and international scientific workshops and meetings.

A Staff Scientist is an NIH employee generally appointed to a time-limited, renewable position to support the long-term projects of a research program. Staff Scientists do not receive independent resources, although they often work autonomously and have sophisticated skills and knowledge essential to the work of the laboratory. Staff Scientists should be capable of personally designing experiments, but generally do not have responsibilities for initiating new research programs. The Staff Scientist in this position will conduct independent research and mentor trainees and other laboratory staff.


Applicants must have a PhD, DVM, ScD, MD, or equivalent in cheminformatics, biomedical, or related fields, with at least 5 years of research experience after receiving the final degree, such as postdoctoral research and/or equivalent experience in their field. Applicants must demonstrate experience in QSAR/QSPR, machine learning, molecular descriptors, data mining, virtual screening, chemogenomics, ADME-Tox, and combinatorial chemistry. Data science and computational skills such as proficiency in KNIME, R, Matlab, Python, ChemAxon, Dragon, Weka, or equivalent languages or softwares are also desirable. An outstanding comprehension of the relevant literature in the aforementioned areas and related fields and excellent oral and written communication skills are required. Priority will be given to applicants with demonstrated ability to foster effective scientific collaborations across groups from different disciplines, and to create an atmosphere for maximum creativity, productivity, and cooperation.

This is a federal full-time equivalent position, and a comprehensive benefits package is available. Salary will be commensurate with experience and qualifications.
Foreign Education:
Applicants who have completed part or all of their education outside of the United States must provide an evaluation by an accredited organization to ensure its equivalence to education received in accredited educational institutions in the United States. For more information on foreign education verification, visit the National Association of Credential Evaluation Services (NACES) website at Verification must be received prior to the effective date of the appointment.

To Apply:

To submit a complete application package, interested candidates must submit their full curriculum vitae including bibliography and a 3- to 4-page statement of research experience and interests, as ONE (1) combined PDF to Ms. Bonnie Earnhardt at Please include vacancy number NR121 and your name in the subject line of your email submission. Please include in your CV a description of mentoring and outreach activities, especially those involving women or other underrepresented groups in biomedical research. In addition, applicants must arrange to have three (3) letters of recommendation sent to Please be sure that referees include your name and Vacancy Number NR121 in the subject line of their email. For further information about the position, please contact Dr. Nicole Kleinstreuer at Incomplete applications or paper applications will not be accepted. Review of applications will being on July 22, 2020.




Commitment to Diversity and Equal Employment Opportunity: The NIH NIEHS encourages the application and nomination of qualified women, minorities, and individuals with disabilities. The United States Government does not discriminate in employment on the basis of race, color, religion, sex (including pregnancy and gender identity), national origin, political affiliation, sexual orientation, marital status, disability, genetic information, age, membership in an employee organization, retaliation, parental status, military service, or other non-merit factors. NIH NIEHS will provide reasonable accommodations to applicants with disabilities as appropriate. If you require reasonable accommodation during any part of the application and hiring process, please notify us.