Abstract: The chemical reaction encoding method (100) for one-step, multi-step and equilibrium reactions, comprises:—a step (105) of receiving, upon a computer interface, a chemical reaction graph comprising at least one chemical reaction reagent and at least one chemical reaction product, —a first step (110) of encoding, by a computing device, said chemical reaction graph describing the structure of at least one said reagent and said product, —a step (115) of determination, by a computing device, of changing bonds within the encoding representative of the chemical structures of at least one said reagent and said product, —a second step (120) of encoding, by a computing device, in a single string of characters, for at least one changing bond determined, at least one character representative of an atom subject to the change of bond, at least one character representative of the type of changing bond determined and at least one character representative of an atom resulting from the change of bond, in which a changing bond

Abstract: The invention relates to a volatile liquid chemical compound physical parameter database construction method; a fragrance physical composition evolution prediction method and corresponding systems.

Abstract: The system (200) for training an ensemble neural network device configured to execute the steps of: providing (205) a set of exemplar data, comprising at least one set of inputs (220) and at least one set of outputs (225) associated to the set of inputs, to a neural network device comprising an ensemble (230) of neural network devices, configured to provide independent predictions based upon the exemplar data, operating (210) the neural network device based upon the set of exemplar data, obtaining (215) the trained neural network device configured to provide an output, the neural network device further comprising at least two independent activation functions, whereof at least two of the independent activation functions are representative of the statistical distribution of the plurality of independent predictions, the neural network device being configured to provide at least one output (235, 236) for at least two said independent activation functions and the step of operating further comprising a step of o

Abstract: A computer-implemented method for training an autoencoder neural network or generative adversarial network device to generate indeterministic and realistic digital representations of new fragrance or flavor ingredient compositions to be compounded, the method including the steps of: providing an original set of exemplar fragrance or flavor composition digital identifiers, said exemplar fragrance or flavor composition digital identifiers being representative of materialized fragrance or flavor compositions including at least so two distinct ingredients and training an autoencoder device or generative adversarial network device using the original set of exemplar fragrance or flavor composition digital identifiers to generate a fragrance or flavor composition generative model trained to generate new fragrance or flavor ingredient compositions, including at least two distinct ingredients, to be compounded.

Abstract: The present invention provides 3- to 7-membered 1,3-diaza-4-oxo-heterocyclic derivatives, such as imidazolidinone O derivatives, capable of releasing in a controlled manner a biologically active aldehyde or ketone in the surrounding. The invention also relates to the use of these compounds as perfuming or flavoring ingredients, as well as to the perfuming compositions and consumer articles containing such derivatives. It also provides a process for preparing said derivatives of the invention.

Abstract: The present invention relates to a dynamic mixture in the form of a dynamic mixture obtained by reacting together, in the presence of water, at least one O-substituted hydroxylamine or S-substituted thiohydroxylamine derivative with at least one perfuming, flavoring, insect repellent or attractant, bactericide or fungicide aldehyde or ketone. This mixture is capable of releasing in a controlled and prolonged manner the aldehyde or ketone into the surrounding environment. Furthermore, the present invention concerns also the use of these dynamic mixtures as perfuming ingredients as well as the perfuming compositions or perfumed articles that include these mixtures.

Abstract: The present invention provides 3- to 7-membered 1,3-diaza-4-oxo-heterocyclic derivatives, such as imidazolidinone O derivatives, capable of releasing in a controlled manner a biologically active aldehyde or ketone in the surrounding. The invention also relates to the use of these compounds as perfuming or flavoring ingredients, as well as to the perfuming compositions and consumer articles containing such derivatives.

Abstract: The present invention concerns a dynamic mixture obtained by combining, in the presence of water, at least one diamine derivative that includes at least one benzylamine moiety, with at least one active aldehyde or ketone. The inventive mixture is capable of releasing in a controlled and prolonged manner the active compound, in particular those that are perfuming ingredients, into the surrounding environment.