The goal of this project is to investigate inefficiencies in the functionality of Retrosim, chief among them being its inability to process large molecules. To accomplish this goal, we created a call tree to map out how functions are connected when Retrosim runs. We also conducted tests to measure the efficiency of all of Retrosim’s functions to determine their runtimes. Our work is intended to be the foundation for future improvements and eventual automation of Retrosim.

• This report represents the work of one or more WPI undergraduate students submitted to the faculty as evidence of completion of a degree requirement. WPI routinely publishes these reports on its website without editorial or peer review.

Creator

• Zou, Jason
• Martindale, David L.

Publisher

• Worcester Polytechnic Institute

Identifier

• E-project-040621-131714
• 17156

Advisor

• Smith, Therese Mary

Year

• 2021

Sponsor

• Abbvie

Date created

• 2021-04-06

Resource type

• Major Qualifying Project

Major

• Computer Science

Rights statement

• In Copyright

Last modified

• 2021-05-03