The Controlled Substance Expert Community
The Pistoia Alliance CSCS Project delivered two separate solutions :-
The Scitegrity Controlled Substances Squared (CS2) system is a completely new system built specifically to the Pistoia CSCS requirements and using tried and trusted, industry leading core software from Biovia (formerly Accelrys), namely Pipeline Pilot and the Accelrys Direct chemistry cartridge for Oracle. These Biovia products are well known in the pharmaceutical industry and are proven to have the ability to be integrated quickly and efficiently into a company’s existing IT infrastructure. This means that CS2 can be called at many levels within an organisation, ranging from an intuitive web browser front end, through API integration with existing applications such as electronic laboratory notebooks, materials management tools and chemistry synthesis design tools, to the storage of controlled status of complete corporate collections for near instantaneous retrieval. All controlled substance hits are accompanied with a wealth of supporting material concerning the underlying legislation with additionally the ability for the customer to add their own company specific guidance.
Compliance Checker is a software system and content package developed by Patcore and ChemAxon. Based on ChemAxon's JChem technology for structure entry and representation (a well trusted industry leading cheminformatics platform for over 16 years), Compliance Checker allows users to perform controlled substance checks by either chemical structures (through the drawing functionalities of Marvin), or by text, CAS numbers, SMILES strings, IUPAC names or even by common names. Checks can be performed with either individual structures (inputted via Marvin), or as a large set of structures stored in SD or text files. Compliance Checker has a variety of interfaces for different user types and can be integrated with workflows tools like KNIME and Pipeline Pilot, ELN, Registration or Reagent Management System via Web Services access or command line. Compliance Checker is available as a Web or client based system for bench access with MS Office (Excel, Word), HTML and PDF output and its deployment is straightforward . Compliance Checker relies on an up to date and extensive knowledge base made up of relevant published legislations covering most of the North America, Europe and Asia countries. The software and legislation databases are created and maintained by Patcore in close collaboration with ChemAxon.
1. A. Costache & K. Niesz (2014) Chemical Weapons, European Biopharmaceutical Review 67: pp70-72