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Cheminformatics

National Institute of Environmental Health Sciences, Research Triangle Park, NC
Overview:

The Division of the National Toxicology Program (DNTP) at the National Institute of Environmental Health Sciences (NIEHS), which is part of the National Institutes of Health (NIH), seeks a postdoctoral trainee who wants to build their career in toxicological sciences to better understand how factors in our environment may impact our health. The DNTP’s mission is to improve public health through data and knowledge development that are translatable, predictive, and timely. DNTP strives to conduct innovative and rigorous toxicology research with aligns with real-world public health needs and to translate scientific findings into knowledge that can inform real-life individual and public health concerns. Much of DNTP’s work is in support of the interagency National Toxicology Program.

Position Description:

A postdoctoral position is available in the Predictive Toxicology Branch in the Division of the National Toxicology Program (DNTP) at the National Institute of Environmental Health Sciences (NIEHS), Research Triangle Park, North Carolina. The goal of this project is to develop a comprehensive in-house in silico modeling pipeline that combines best practices in data-curation, data-mining and predictive machine learning tools, and will serve as a resource for all of the DNTP and cross-divisional NIEHS collaborators. The pipeline will be provided with a user-friendly interface through KNIME server webservice, both guided and automated steps, and extensive documentation to democratize the use of powerful computational tools and facilitate their application and understanding among non-experts. At the same time, the pipeline will have an expert oriented back end workflow developed to be flexible for more advanced modelers and programmers to conduct more specific modeling studies as well as to maintain and update the pipeline with additional tools. The development of a robust, scalable, and well-engineered chem-informatics pipeline is a critical component of DNTP’s intent to  enhance the use of predictive toxicology approaches in its public health mission and will further advance the application of predictive toxicology in environmental health research. The postdoctoral fellow will be co-mentored by Drs. Kamel Mansouri (Cheminformatics) and Charles Schmitt (Computer Science).

Main activities of the candidate:
  • Extract and curate data from internal and public sources/databases
  • Apply data-mining tools to analyze toxicology data from a chemical/biological perspective
  • Apply cheminformatic tools to determine structural features in relation to biological response
  • Develop/maintain databases with in silico, in vitro and in vivo data
  • Develop, combine, apply and maintain in house and collaborators computational workflows
  • Develop, apply and maintain predictive computational models (QSAR, MM, Docking…)
  • Assist in the development and writing of scientific publications and technical documents
Main scientific skills and knowledge:
  • Cheminformatics & Computational chemistry
  • Structural/biology/toxicology/environmental sciences
  • Programming language (python, Matlab, java)
  • Statistics and advanced data mining methods
  • Machine learning/ Artificial intelligence algorithms
  • Modelling and molecular simulation tools (QSARs, docking and virtual screening etc.)
  • Experience with KNIME environment
  • Oral communication and writing skills
In addition to the appropriate scientific and technical skills, the ideal candidate should also be:
  • Enjoying working in a team and collaborating with different partners.
  • Sharing skills and contributing to the mentoring of trainees.
  • Autonomous and rigorous with attention to detail
  • Creative
  • Problem solver
Stipend/Benefits:

The DNTP postdoctoral training program funds fellowships for typically up to three years. Stipends for NIH fellows are determined by the amount of previous postdoctoral experience. Postdoctoral fellows are considered as professionals-in-training and are not classified as NIH employees. Medical insurance is provided.

Eligibility:

To be eligible for postdoctoral training at the DNTP, applicants may not possess more than five years of postdoctoral experience and must hold a Ph.D. or equivalent in toxicology or an allied science, M.D., D.V.M., or other equivalent professional degree. All applicants receive consideration without regard to race, religion, color, national origin, gender, sex, sexual orientation, physical or mental disability, political affiliation, age (with statutory exceptions), or any other non-merit factor.

To Apply:

Applications should be submitted as a single pdf including:
  • Curriculum Vitae.
  • A one-page cover letter describing your background, how your doctoral training has prepared you for a fellowship, and what you hope to achieve if accepted into the program.
  • Names and contact information for three references.

Please submit your application to Dr. Kamel Mansouri via email at kamel.mansouri@nih.gov.

 

This post will be available until October 18, 2021 or until filled.

The NIH is dedicated to building a diverse community in its training and employment programs.