This work is devoted to the study of relationship “structure — anticonvulsant activity” of new 3-substituted derivatives of 1,4-benzodiazepine. Anticonvulsant effect was evaluated by determining the minimum effective dose of corazol. Method of simplex conception of molecular structure has been used. It is shown that 2D PLS model on which we analyzed the influence of structural factors and molecular fragments in the studied properties can be used for direct synthesis of new derivatives of 1,4-benzodiazepine with desired properties.
