Reaction-based de novo design refers to the in-silico generation of new chemical structures by combining reactants through structural transformations derived from known reactions. The implementation and validation of the model using a multi-marker reaction class recommender were developed de novo with a design based on a reaction vector combined with a reaction class recommender that considers the characteristics of the entire molecule as input molecule for suggest only those classes of synthetically accessible reaction that are most likely to occur in an environment chemical determined .