ACD/Labs Highlights NMR Prediction Software Collaboration at ENC 2017

ACD/Labs NMR prediction software implemented as a learning tool for the power of first principle in computational chemistry at the University of Waterloo

ENC 2017, Pacific Grove, CA (March 27, 2017)—ACD/Labs, an informatics company that develops and commercializes solutions in support of chemical and pharmaceutical R&D, today announced a collaboration with Dr. Jacob Fisher, a laboratory instructor at the University of Waterloo. In this role, Dr. Fisher teaches courses and labs on topics ranging from computational to physical chemistry with the goal of helping his students develop transferable skills with lab equipment and software platforms used in the industry.

As a passionate advocate for the latest technology used to further the scientific field, Dr. Fisher chose to implement ACD/NMR Predictors software as a student learning tool in his introductory computational chemistry course.

"Upon developing and evolving my computational chemistry course, there was a natural fit for the ACD/NMR Predictors tool, and I am very satisfied with the outcome as well as the power it has," says Dr. Jacob Fisher. "More specifically, I really like the ease of use and minimal learning curve of the ACD/NMR Predictors platform, which is ideal for today’s millennial students."

The course is an introduction to the theory and practice of computational methods used in chemistry, and it is designed around first principles (Gaussian and DFT). ACD/NMR Predictors facilitates the natural progression of learning from theory, through empirical observations and experimental data. With ACD/NMR Predictors, Dr. Fisher and his students are able to:

  • Calculate 1H and 13C chemical shifts
  • Explore the relationship between theory and accuracy of chemical shift predictions
  • Compare between ab initio NMR methods and NMR predictor software
  • Visualize NMR shielding tensors

ACD/Labs will be exhibiting and presenting a poster on this collaboration at the 58th Experimental Nuclear Magnetic Resonance Conference in the Acacia Hospitality Suite in Pacific Grove, California from March 26–31, 2017.

In addition, Brent Pautler, an application scientist at ACD/Labs, will be presenting a poster on this in the Acacia Hospitality Suite after 7 pm, Monday through Thursday. For more information, please visit: http://www.acdlabs.com/enc2017.

About Advanced Chemistry Development, Inc.
ACD/Labs is an informatics company that develops and commercializes solutions in support of R&D. Our software is used in many industries including pharma/biotech, chemicals, consumer goods, agrochemicals, petrochemicals, food and beverage, academia, and government organizations. We provide integration with existing informatics systems and enterprise-level automation; with sales and support offices worldwide. For more information, please visit www.acdlabs.com. Follow us on Twitter @ACDLabs.