Saturday, November 8, 2025

Facelift for Reaction and Pathway Pages, SMILES format read support, Video Tutorials

Release 4.6.0

No doubt the Molecular Pathway Generator blog reader will be most enthralled by the addition of full feature video tutorials starring yours truly this update. These were recorded and added to provide clear explanations as a companion to using the interactive tutorials on the main Home Page. They can be viewed by clicking the "Tutorials!" button. If the button is not visible, the information icon can be clicked to display it.





Additionally, the Reaction and Pathway information pages were given a redesign. The Pathway updates were performed simply to provide a cleaner interface that also works better on small screens. In addition to some cosmetic reworking, the Reaction updates now display information from a freely available source such as Wikipedia or Chemistry LibreTexts in the larger screen versions of the app. The decision to utilize well accredited third party sources was made to provide the user with the most up-to-date, accurate, and complete information about a given reaction. The reaction pages still contain a reaction simulator function, as well. A default, starting molecule was chosen to demonstrate each reaction. The user can edit this starting molecule as desired by either using the molecule editor tool or changing the molecule name and then clicking the reaction icon to simulate the reaction for the new given starting molecule. 

Finally, SMILES format read support was added. The user can now enter the name of the molecule in SMILES format in the molecule editor to view the molecule, similar to entering the IUPAC name of the molecule. This will also work if the savvy user wishes to enter the SMILES format name of a molecule in the direct molecule link, such as for methanol: https://www.organicchemmaster.com/MolGen/Molecules/CO

Standards: For this update, the responsibility of the standards was actually primarily offloaded to known, accredited sources including Wikipedia, Chemistry LibreTexts, and PubChem. One of the overarching goals of the Molecular Pathway Generator site has been and will continue to be to use as many existing resources as possible and aim to build on what they already accomplish rather than reinvent the wheel. This maxim is applied for both external chemistry resources used as well as internal engineering principles. 

Controls: Fairly intuitive with this update, however a few brief notes.

  1. The user can now enter the name of a molecule in proper SMILES format in place of a common name, amino acid abbreviation, or IUPAC name to view the molecule. This is performed simply by entering the SMILES format name in one of the molecule name boxes and pressing "enter".
  2. Video tutorials can be viewed by clicking the "Tutorials!" button on the Home Page. If this button is invisible the user can click on the i "information" icon to view the context panels. The user can either view the video tutorial on a standalone basis or view as they perform one of the interactive tutorials. 
Future Considerations: Definitely providing an on the fly SMILES format name of a molecule as the user edits it will be on the radar for future features. Also, a video highlighting the most powerful features is in the works. Anything else? Comments on the interface?? Keep reacting!

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Facelift for Reaction and Pathway Pages, SMILES format read support, Video Tutorials

Release 4.6.0 No doubt the Molecular Pathway Generator blog reader will be most enthralled by the addition of full feature video tutorials s...