Method for analysis and design of entities of a chemical or biochemical nature

摘要

The invention relates to processes for characterising the sites of interaction between a Ligand Y and a Target X, comprising the steps of (1) inputting information on the chemical/physical properties of at least two targets of the type X; (2) inputting information on the chemical/physical properties of at least two ligands of the type Y; (3) inputting information on the interactions between at least two of the targets of type X with at least two of the ligands of type Y; and then correlating the information from steps 1, 2 and 3 using one or more multivariate methods in order to produce a model of the interaction between the Ligand Y and Target X, from which the sites of interaction may be identified and/or characterised.