ELI5: Explain Like I'm 5

Molecular graph

Imagine you have a bunch of toys with different shapes - some are round, some are square, some are triangle, and so on. These toys are molecules, and they're made up of tiny things called atoms.

Now, you want to draw a picture of each molecule to show what atoms are in it and how they're connected. This is where a molecular graph comes in.

A molecular graph is like a map of the molecule, showing all the atoms and how they're linked together. Each atom is represented by a symbol, like the letters A, B, C, and so on. The lines between the symbols show the bonds between atoms - basically, how they're holding hands with each other.

For example, let's say you have a molecule of water. This molecule is made up of two hydrogen atoms and one oxygen atom, linked together like this: H-O-H. In a molecular graph, you would draw it like this:

H
/ \
O H

The "H" symbols represent the hydrogen atoms, and the "O" represents the oxygen atom. The lines (or bonds) show that each hydrogen atom is bonded to the oxygen atom.

So, a molecular graph is a way of drawing a picture of a molecule to show what atoms it's made of and how they're connected. It's kind of like a map, but for really tiny things that you can't see with your eyes!