Project that intends to create a reaction network using a chemical database.
In chemistry, the discovery of new molecule synthesis methods often happens unexpectedly, a process known as serendipity. We aim to harness this by using network science to model complex networks of molecules and reactions. Our project's specific goals include proposing a network-based model for representing chemical reactions, analyzing network metrics, and implementing basic link prediction algorithms. This work builds upon prior studies and databases, ultimately contributing to the systematic exploration of serendipitous chemical reactions.
- Propose a model for representing chemical reactions as a network.
- Explore and analyze the metrics of the formed network.
- Implement basic link prediction algorithms within the network.