IDBS Blog | 19th May 2016

Chemically Intelligent Stoichiometry

One of the many benefits of integrating ChemAxon’s Marvin JS and JChem web services technology into E‑WorkBook is the speed with which we can develop new electronic laboratory notebook solutions which have chemical intelligence built in – taking our chemistry ELN to the next level.

Take, for example, the new stoichiometry functionality of our E-WorkBook Chemistry ELN (scheduled for release in E‑WorkBook 10.1.2). When you draw a chemical reaction in an electronic notebook experiment item, our software seamlessly uses the ChemAxon technology to identify which of the reaction’s chemical structures are reactants, which are agents, and which are products. The E‑WorkBook chemistry ELN then automatically generates the stoichiometry table with the various components located in the correct dedicated sections. You can intervene if you wish to change the type of the components in the table, or further refine them – such as when you need to mark one agent as a catalyst, and another as a solvent.

This is valuable because you often need to record different kinds of properties, and perform different calculations, depending on the component’s type. For example, for a solvent you may need to record its volume, whereas for a catalyst you may need to use fractional equivalents without limiting the equivalents of the expected product.

Structuring these kinds of reaction semantics into your chemical experiments has never been easier, with ChemAxon’s world-class chemical intelligence working for you inside the best chemically enabled ELN on the market – E‑WorkBook Web.

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