using SMILES notation to describe molecules and their reactions effectively
What is it about?
There are many ways to write down the formula of a molecule. SMILES is a special notation for writing down the molecule name and encoding its structure. I developed a way of writing SMILES notation that encodes specific parts of a molecule that are important to you, and even allowing for chemical reactions to be encoded.
Why is it important?
There are many ways a molecule can be viewed as a little network of atoms, leading to many ways you could write a SMILES notation for a molecule. In the case of this work, writing more in the SMILES notation results in the same output, but encodes a lot more information about the molecule's origin and moieties. This can be very useful for beginners and for chemical reaction analysis.
The following have contributed to this page: Mr Matthew Simon MacLennan