Create a molecule from a list of atoms and bonds:

Create a molecule from a chemical Entity:

Create a Molecule from a SMILES string:

Create a molecule from a systematic chemical name:

Molecule can parse a wide range of chemical nomenclature, reading and understanding the bits and pieces of a chemical name:

Each of the names created the same molecule:

Use "Element" and "Isotope" entities to populate the atom list:

The list of atoms has been converted to the canonical form:

Create a Graph from a Molecule:

Retrieve atom information from the graph using AnnotationValue:

Hydrogen atoms may be omitted from the atoms list and will be inferred from common atomic valence:

Each carbon atom:

A chemical formula is not sufficient to determine molecular structure:

Use Interpreter to find the appropriate "Chemical" entity first:

Filtering a group of molecules for those containing a particular substructure or functional group is intuitive and simple. Create a list of molecules using the entity class:

Now use a SMARTS pattern to select only those ketones that are also diaryl ethers:

Generate 2D diagrams and highlight the diaryl ether functional group:

Create a WordCloud of different synonyms for the same molecule, together with the molecule's structure diagram: