IDENTIFYING ACTIVE MOLECULES USING PHYSICO-CHEMICAL PARAMETERS

摘要

The present invention discloses a method of identifying psyco-chemical and/or topological parameters which are associated with biological activity, the method using data relating to a set of lead molecules including active and a predetermined set of physico-chemical parameters of which the values are known or obtainable for each of the lead molecules, the method further using a function (f) which is defined for any subset of said parameters and which depends on the statistical significance (p) of correlations between the values of that subset of parameters for the active molecules in comparison to the values of that subset of parameters for other or said molecules.