The geometry adopted by a ligand when it binds to its biological target.

A toxicophore is a structural fragment known to be related to some biological toxicity

A method for the establishment of a correlation between the biological activities and the fields produced in the surrounding of a molecule.

Absorption, Distribution, Metabolism, Excretion

The affinity of a ligand is its ability to bind to its biological target.

A chemical substance capable of activating a given receptor.

With both hydrophilic and hydrophobic properties.

A molecule structurally similar to another, generally based on the same scaffold

A molecule that blocks the activation of a receptor.

3D structure of a macromolecule without a ligand