Abstract: The invention refers to a method for determining a preparation specification comprising a target biodegradability. A target biodegradability is provided indicative of a biodegradation characteristic of a formulation. A digital representation of a potential target preparation specification is provided. A habitat is provided indicative of habitat descriptor values of habitat descriptors. A model is provided based on the habitat that is adapted to determine the biodegradability of a formulation in the habitat. The biodegradability of the potential target formulation is determined based on the provided model and the digital representation.

Abstract: Provided is a method for generating a digital representation of a chemical substance. This may involve training aspects of neural networks to represent chemical sub-stances. Provided further relates to applications of the digital representation including a computer program product, a database search engine for identifying chemical sub-stances, apparatuses for generating measurement data associated with chemical substances and control data associated with synthesis specifications for chemical substances.

Abstract: The invention refers to a method for determining a synthesis specification comprising a target biodegradability. A target biodegradability is provided indicative of a biodegradation characteristic of a functional chemical compound. A digital representation of a potential target synthesis specification is provided. A habitat is provided indicative of habitat descriptor values of habitat descriptors. A model is provided based on the habitat that is adapted to determine the biodegradability of a functional chemical compound in the habitat. The biodegradability of the potential target functional chemical compound is determined based on the provided model and the digital representation.

Abstract: The disclosure relates to a method for determining the biodegradability of a given formulation in a given biodegradation habitat.

Abstract: The invention refers to a method for determining a target molecule. A target property and a digital representation of a potential target molecule is provided. Then a model is utilized for determining a property of a potential target molecule. The model has been parameterized based on an explored data set and an unexplored data set. The explored data set comprises a property for a plurality of explored molecules and molecule characterizing parameter values for the plurality of explored molecules. The unexplored data set comprising characterizing parameter values for a plurality of unexplored molecules. The determined property of the potential target molecule is compared with the target property. Based on the comparison, either i) the potential target molecule is determined as the target molecule, or ii) a new potential molecule is determined and the determination of the property repeated. The determined target molecule is then provided.

Abstract: A method for characterizing a chemical substance in a predetermined multimodal representation having a predetermined plurality of modalities, comprises: receiving (S12) multimodal substance data (2, 12) comprising a first set of modalities of the chemical substance; encoding (S13) said multimodal data (2, 12) using a data driven model (3, 10) of the chemical substance for generating encoded substance data; and generating multimodal substance data comprising a second set of modalities of the chemical substance by decoding said encoded substance data using the data driven model (3, 10), wherein the multimodal substance data is indicative of a physicochemical property of the chemical substance, a composition of the chemical substance and/or an identifier of the chemical substance. The data driven model (3, 10) is implemented to map input data (2, 12) to encoded output data (6), input data being a multimodal representation (2, 12) of the chemical substance.

Abstract: The invention refers to a method for determining a biodegradability for a polymer. A digital representation of the polymer indicative of physicochemical characteristics of the polymer is provided. Further, a habitat is provided that is indicative of habitat descriptor values influencing a biodegradation of a polymer. The habitat descriptors are indicative of environmental characteristics of the habitat. A biodegradation model is provided based on the habitat. wherein the biodegradation model is adapted to determine a biodegradability of a polymer in the respective habitat, wherein the biodegradation model is a data driven model parametrized with respect to the habitat such that it can determine a biodegradability of a polymer based on the physicochemical characteristics. The biodegradability of the polymer is then determined based on the provided biodegradation model and the digital representation of the polymer.

Abstract: The invention refers to a method for determining a synthesis specification comprising a target biodegradability. A target biodegradability is provided indicative of a biodegradation characteristic of a polymer. A digital representation of a potential target synthesis specification is provided indicative of physicochemical characteristics of the polymer. A habitat is provided indicative of habitat descriptor values of habitat descriptors. A model is provided based on the habitat that is adapted to determine the biodegradability of a polymer in the habitat. The biodegradability of the potential target polymer is determined based on the provided model and the digital representation.

Abstract: The invention refers to a method for determining habitat descriptor values providing a target biodegradability for a polymer. A target biodegradability is provided indicative of a biodegradation characteristic of a polymer. A digital representation of a polymer indicative of physicochemical characteristics of the polymer is provided. A biodegradation habitat is provided indicative of habitat descriptors influencing a biodegradation of a polymer. A biodegradation model is provided based on the provided biodegradation habitat that is adapted to determine habitat descriptor values that allow for a biodegradation of the polymer meeting the target biodegradability in the biodegradation habitat. The habitat descriptor values are determined for the polymer based on the selected biodegradation model, the target biodegradability and the polymer descriptors.

Abstract: The invention refers to an apparatus (110) for predicting a technical application property for a polymer based on a digital representation of the polymer. A digital representation providing unit (111) provides a digital representation of the polymer indicative of polymer descriptors. The polymer descriptors are indicative of parameters quantifying physicochemical characteristics of subgroups of the polymer. A prediction model providing unit (112) provides a prediction model adapted to predict a technical application property of the polymer based on the digital representation, wherein the prediction model is a data-driven model parametrized such that it predicts based on the polymer descriptors indicated by the digital representation the technical application property associated with the polymer. A property determination unit (113) determines the technical application property based on the provided digital representation of the polymer and the prediction model.

Abstract: The present invention relates to novel graft polymers comprising a polymer backbone (A) as a graft base having polymeric sidechains (B) grafted thereon. The polymeric sidechains (B) are obtainable by polymerization of at least one vinyl ester monomer (B1) and optionally a further monomer (B2), wherein—if present—the weight ratio of monomer (B2) to monomer (B1) is less than 0.5. The polymer backbone (A) is obtainable by polymerization of ethylene oxide, and the molecular weight of the polymer backbone Mn in g/mol is within 500 to 5000. The present invention further relates to a process for obtaining such a graft polymer, the process is preferably carried out by free-radical polymerization. The present invention also relates to the use of such a graft polymer within, for example, fabric and home care products. Also claimed are fabric and home care products containing such graft polymer.

Abstract: A detergent composition includes a detersive surfactant and a graft polymer.

Abstract: A detergent composition includes a detersive surfactant and a graft polymer.

Abstract: A detergent composition includes a detersive surfactant and a graft polymer.