PROCEDE POUR PREVOIR, IDENTIFIER ET DECRIRE DES MOLECULES SUSCEPTIBLES DE PRESENTER UN COMPORTEMENT RECHERCHE, NOTAMMENT DANS LE DOMAINE DE LA PHARMACIE ET MOLECULES OBTENUES PAR CE PROCEDE

摘要

The present invention is concerned with a computer-aided method for the provision, identification and description of molecules exhibiting a desired behaviour, more particularly in the pharmaceutical sector, employing a molecular modelling step, a combinatorial library building step and a step of selecting potentially useful molecules, said method including a step whereby the candidate molecules are filtered using a dynamic filter representing constraints of conformational variations which the molecules must satisfy in order to exhibit said activity.