How Are Graphs Used to Model Molecular Structures?
Molecular structures can be represented as graphs where atoms are nodes and chemical bonds are edges. This representation helps in:
Identifying Isomers: Graph-based algorithms can identify different isomers, which are molecules with the same formula but different structures. Predicting Properties: Certain properties, such as stability and reactivity, can be predicted by analyzing the graph's topology. Simulating Reactions: Graph transformations can simulate chemical reactions by modifying the graph to represent the breaking and forming of bonds.
