Cheminformatics

As recent international incidents amply demonstrate, chemical weapons remain an enduring and very real challenge to international peace and security. However, frontline officers for border security and trade controls, as well as chemical industry employees, struggle to identify whether a chemical can be utilized as a chemical warfare agent and precursor. This challenge stems from at least three sources: (1) lists of controlled chemicals identify chemicals of concern through names and registry numbers – however, the lists may not cover the specific chemical in question, given that chemicals have a multitude of synonymous names and different variants of the same chemical; (2) some lists of controlled chemicals do not identify individual chemicals only chemical families, which can make the lists difficult to interpret by non-chemists; and (3) lists of controlled chemicals are subject to change and must be kept current. This project is supported by and funded through Global Affairs Canada’s Weapons Threat Reduction Program.