Current commercially available combinatorial library generation software does not comprehensively satisfy the needs of our combinatorial chemists, so it was necessary to develop an in-house solution for combinatorial library generation, reaction data management and sample tracking. The system was developed utilizing the Daylight Reaction Toolkit, Oracle, and Java. It is a reaction based system, rather than product based, and is capable of carrying out extremely complex chemical transformations. The system inputs lists of structures and transformation criteria as defined by the SMIRKS. The output can be either enumerated products or Daylight Chuckles. Each reaction step is tracked as part of the library synthesis and is reviewable during the definition of the synthetic scheme. The application client, the client-server communication components, and the chemical structure visualization were developed in Java, providing cross-platform accessibility. The architecture allows for easy extensibility for incorporation with the inventory data system.

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