Handling Chemical Documentation

Scope

Is it possible to handle documents containing references to molecules by looking for common patterns in the molecules?

Solution

In this case – which is fictitious – we assume that the references to molecules follow the SMILES format. We also assume that a database of technical documentation has been set up.

In this exercise, one can look for documents containing a reference to one molecule (SMILE format) that contains at least one instance of the selected pattern. The pattern is highlighted in red.
A summary of the (fictitious) document content appears at the bottom and can be displayed for every selected document.

Click top open the demonstration

Data Source

Own data.

Copyright

© 2019 JP Tollenboom, Partner in NARMA 42.