graph-distance-based structure-descriptors

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• Scale-invariant feature transform — Feature detection Output of a typical corner detection algorithm …   Wikipedia

• Chemical database — A chemical database is a database specifically designed to store chemical information. This information is about chemical and crystal structures, spectra, reactions and syntheses, and thermophysical data. Contents 1 Types of chemical databases… …   Wikipedia

• Topological index — For topological index in mathematics, see Atiyah–Singer index theorem. In the fields of chemical graph theory, molecular topology, and mathematical chemistry, a topological index also known as a connectivity index is a type of a molecular… …   Wikipedia

• Molecule mining — This page describes mining for molecules. Since molecules may be represented by molecular graphs this is strongly related to graph mining and structured data mining. The main problem is how to represent molecules while discriminating the data… …   Wikipedia

• Docking (molecular) — Docking glossary • Receptor or host or lock – The receiving molecule, most commonly a protein or other biopolymer. • Ligand or guest or key – The complementary partner molecule which binds to the receptor. Ligands are most often small molecules… …   Wikipedia

• Ridge detection — The ridges (or the ridge set) of a smooth function of two variables is a set of curves whose points are, loosely speaking, local maxima in at least one dimension. For a function of N variables, its ridges are a set of curves whose points are… …   Wikipedia