A white paper from the Numerical Algorithms Group (NAG), “The Benefits of Using Rigorously Tested Routines from Numerical Libraries” is written to help drug researchers understand how and why to incorporate and use of extensively documented numerical libraries into their application development practices.
The subject matter discussed in the NAG Library Guide white paper is of growing importance to scientific research because of recent multicore processor developments, the emergence of GPU chips, and widespread access to high performance computing (HPC) resources.
One factor affecting pharmaceutical researchers is the ability to manage and interpret the large volume of data generated by today’s analytical instruments and systems in a timely manner. In addition, in drug discovery and bioinformatics investigations, computationally intensive mathematical and statistical methods are key. The paper re-examines how computational frameworks may be designed for maximum performance.
