The nascent paperless laboratory
Utility of SmartDocument
- After a chemist has drawn a reaction, the chemists SmartDocument (Adobe Systems, San Jose, CA) notebook page automatically calculates the stoichiometric gram quantities of the reactants needed to produce the intermediates and final products in desired quantities.
- The electronic laboratory notebook (ELN) searches online sources of the scientific literature for similar synthetic routes and additional publications related to the reactants, intermediates, and final products.
- The ELN does structure and substructure searching to locate all molecules that match within a certain range of similarity.
- At the chemists request, the ELN invokes modeling, simulation, and visualization tools to model the intermediates transition states and recalculate the kinetics of the reaction.
- The ELN is able to check the stockroom database to see whether the required chemicals are available; if they are not, it can place an EDI (electronic data interchange) transaction with the companys chemical supplier.
- The chemist moves on to another experiment for the time being.
- Two days later, the chemical stockroom receives the shipment of chemicals and notifies the chemist.
- The chemist runs the synthetic experiment and gets a thick, blue crystalline substance in the bottom of the flask.
- The chemist takes the blue crystalline substance to the Analytical Services Department for chemical analysis.
- Analytical Services sends an event notification to the chemist, via an EDI, indicating that the results are ready.
- The ELN automatically formats and pastes the analytical results into the correct results table within the notebook page template.
- From the analytical results, the chemist concludes that the synthesis succeeded.
- The chemist authenticates the experiment by standing in front of the camera at the lab bench workstation; the ELN automatically stamps the date and time of the experiment.