We assume that the molecules with similar properties should have close projections in the embedding space R n . Thus, if we wish to invent molecules with the property value v 0 , then we search molecules in the train set REGR TR with the property values the closest to v 0 , and we use their embeddings in R n . We applied the centered Gaussian noise with 1-diagonal covariance matrix to these starting vectors in order to augment the set of initializations in R n (Fig. ).