Postdoctoral Research Fellow – Predictive Modeling of Chemical Reactions

Kenilworth, NJ, US
January 19 2018
Organization Type
Requisition ID: POS000243

Merck & Co., Inc. Kenilworth, N.J., U.S.A. known as Merck in the United States and Canada, is a global health care leader with a diversified portfolio of prescription medicines, vaccines and animal health products. The difference between potential and achievement lies in the spark that fuels innovation and inventiveness; this is the space where Merck has codified its legacy for over a century. Merck’s success is backed by ethical integrity, forward momentum, and an inspiring mission to achieve new milestones in global healthcare.
Merck is on a quest for cures and is committed to being the world’s premier, most research-intensive biopharmaceutical company. Today, we’re doubling down on this goal. Merck Research Laboratories is a true scientific research facility of tomorrow, and will take Merck’s leading discovery capabilities and world-class small molecule and biologics R&D expertise to create breakthrough science that radically changes the way we approach serious diseases. 
Be a part of the legacy: MRL Postdoctoral Research Fellow Program The Merck Research Laboratories (MRL) Postdoctoral Research Fellow Program aims to be a best-in-industry program for industrial postdoctoral researchers, designed to provide you with an academic focus in a commercial environment. With the resources, reach, and expertise of a large pharmaceutical company, postdoctoral researchers will be positioned to excel in an institution committed to breakthrough innovation in research and discovery.
Position Overview:
As a postdoctoral fellow in Modeling & Informatics group (M&I), you will work with a highly collaborative team of scientists to apply various methods of data/knowledge mining and machine-learning to chemical reaction data, build & validate predictive models against endpoints such as reaction conditions and product yields, and then apply those predictive models to guide chemical syntheses with improved outcome. 
Responsibilities include but are not limited to:
  • Apply various data/knowledge mining methods to chemical reaction data
  • Explore various machine-learning methods and chemical descriptors to build predictive models against desired endpoints associated with chemical reactions (reaction conditions, product yields, etc.) 
  • Design and even perform actual chemical syntheses to validate and/or refine predictive models through close collaborations with synthetic chemists
  • Communicate research output proactively and effectively to groups and research communities both internal and external to Merck 
For more technical details, please refer to a recent Science paper :



Education Minimum Requirement:  
  •  PhD with less than 3 years of Postdoctoral Experience or achieved a  PhD by Spring/Summer of  2018 
 Required Experience and Skills:
  •  Knowledge about methods and practices in modern organic synthesis
Preferred Experience and Skills:
  • Skilled in machine-learning methods and predictive modeling
  • Skilled in molecular and reaction data manipulation and knowledge mining
  • Prior experience with generating molecular descriptors using quantum chemistry software packages is a plus. 
  • Prior experience with scripting languages (e.g. Python, Pipeline, KNIME) is a plus

Our employees are the key to our company’s success.  We demonstrate our commitment to our employees by offering a competitive and valuable rewards program.  Merck’s benefits are designed to support the wide range of goals, needs and lifestyles of our employees, and many of the people that matter the most in their lives. Merck is an equal opportunity employer, M/F/D/V – proudly embracing diversity in all of its manifestations. Former Military, Transitioning Service Members, National Guard & Reserves - We value your past and present service

Job: Post-Doctoral Fellow
Other Locations:
Employee Status: Regular
Number of Openings:
Shift (if applicable):
Hazardous Materials:
Company Trade Name: Merck

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