Examples for

# Cheminformatics

Cheminformatics (also known as chemoinformatics or chemioinformatics) is a subfield of computational chemistry, utilizing chemical topology, graph theory and data mining for purposes such as drug discovery and substructure filtering. Use Wolfram|Alpha to explore cheminformatics properties, from graph invariants like Balaban's J-index or the Hosoya index to QSAR descriptors like the hydrogen donor count and longest chain.

Find properties related to chemical substructures.

#### Find the largest common substructure of two molecules:

#### Find the longest chemical chain:

#### Find aromatic atoms:

#### Find hydrogen bond donors and acceptors:

Topological indices are molecular descriptors computed directly from the chemical graph. Use Wolfram|Alpha to compute these graph invariant properties.