Casandra
Version 3.6 [202204]
Reactive Hazard Alerting
Laboratory safety information is traditionally found using (Material) Safety Data Sheets, Standard Operating Procedures, literature (Bretherick's), and prior knowledge. However, the large number of resources can make it difficult for a chemist to find the most relevant information efficiently. By providing concise and relevant information to an experimentalist, critical risk assessment becomes faster, easier, and more accurate.
NextMove Software's Casandra is a server that provides real time alerting of reactive chemical hazards. The server is deployed to an internal network and is configured with an in-house warning set. Warnings are specified in a flexible XML format encoding a variety of conditions including occurrence of specific compounds, occurrence or count of functional groups, physical quantity thresholds, and logical combinations of the other conditions. Integration with NextMove Software's CaffeineFix technology provides chemical name spelling-correction and structure lookup.
The server is intended to be used with an Electronic Laboratory Notebook (ELN) plug-in that sends reaction schemes to the server (when modified) and receives a response of identified hazards.
Further Information
- John May and Roger Sayle. Reactive Chemical Hazard Alerting in Pharmaceutical Electronic Lab Notebooks. Presented at BioIT World & Expo. April 2015. [PDF]
- John May and Roger Sayle. Encoding Reactive Chemical Hazards and Incompatibilities in an Alerting System. 250th American Chemical Society National Meeting & Exposition. Aug 2015. [PDF]
- Roger Sayle and John May. GHS and NFPA diamonds: where they come from and how they can be useful. 252nd American Chemical Society National Meeting & Exposition. Aug 2016. [PDF]
- Roger Sayle and John May. Pharmaceutical industry best practices in lessons learned: ELN implementation of Merck’s reaction review policy. 254th American Chemical Society National Meeting & Exposition. Aug 2017.[PDF]