This is a continuation of a 2 part series in predicting the products of a chemical reaction using deep learning methods. Checkout the first part here. In part 1, we: First introduced the problem statement Then we saw how a molecule is represented in a graph network| ChemicBook
Welcome to the first article in the Cheminformatics for Beginners series. This blog will introduce you to the SMILES string notation in cheminformatics. Introduction SMILES (Simplified molecular-input line-entry system) is a line notation method to represent molecules as well as reactions. It is one of the most common method to represent molecules because of its simplicity and readability to the human eye.| ChemicBook