ChemBook Electronic Laboratory Notebook
The ChemBook electronic laboratory notebook (ELN) features an optional Reactor Engine Parallel Synthesis add-on to support the workflows of chemists, synthesizing libraries of compounds in a parallel fashion. A high-performance library enumeration engine that produces synthetically relevant virtual libraries in a highly efficient, automated workflow, the Reactor allows chemists to define a generic reaction, a set of reactant structures, and combine the two to enumerate and iteratively tune a set of product compounds and discrete reactions on a high throughput scale. Users can create virtual compound libraries that can be generated under extensive manual control, can draw and edit reactants directly, and run and tune reactions to achieve real-world products. This approach is particularly advantageous for enumerating small, focused libraries. All IP is captured and stored in-house.