Tuesday, August 1, 2017

Expansion to support common names for Home Page, Interface tweak to clarify reactant(s) and product(s) in pathway search engine

Release 2.7.3

Two minor updates have been made for this release. The drawing by molecule name feature of the Explore section of the Home Page was expanded to be more robust. The user can now enter common molecule names as well as the already supported IUPAC molecule names. There is now also feedback if the user enters a name that can neither be parsed as an IUPAC name nor is recognized as a common name for a molecule. The motivation was to encourage the user to explore molecules known more readily by common names, such as acetaminophen or Pyruvate, without needing to look up the IUPAC name. The second change was merely an interface clarification: the interface for the pathway solver now clearly marks which molecule is the product and which is the reactant for when the pathway search is performed.

Future Considerations - Currently the drawing by molecule name feature first attempts to parse the name as a valid IUPAC name. If this fails, it then searches the local system for a mapping of the name as a common name to an IUPAC name. In seems reasonable as a next step to expand the search to utilize a third party site for the common to IUPAC name mapping.



OChemdle

In light of the recent popularity of games such as Wordle and its offshoots (Worldle, Octordle, Semantle, Redactle, etc), a conversation beg...