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Analysis

1 / 3,715
1.20250342913METHOD FOR MONITORING A PRODUCTION CONSIDERING AN ENVIRONMENTAL IMPACT
US - 06.11.2025
Int.Class G16C 20/10
GPHYSICS
16INFORMATION AND COMMUNICATION TECHNOLOGY SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
CCOMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
20Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
10Analysis or design of chemical reactions, syntheses or processes
 Appl.No 18854262 Applicant BASF SE Inventor Claus TEUBER

The present disclosure relates to product carbon footprints, and particularly to system and a computer-implemented method for monitoring and/or controlling production of products using a production process in which an allocation rule is applied for allocating emissions contributing to the product carbon footprint, PCF, of the products among at least two different products. The method comprises receiving production process data comprising information about at least one process step producing at least two output materials within the production process; receiving a first allocation rule and a second allocation rule different to the first allocation rule; determining, based on the production process data, at least two products affected by the first allocation rule; determining, for the affected products, a first PCF while applying the first allocation rule; determining, for the affected products, a second PCF while applying the second allocation rule; determining, based on a comparison of the first PCF and second PCF with each other, an operational instruction; and outputting the determined operational instruction.

2.20250342915PROGRAM, INFORMATION PROCESSING DEVICE AND METHOD
US - 06.11.2025
Int.Class G16C 20/10
GPHYSICS
16INFORMATION AND COMMUNICATION TECHNOLOGY SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
CCOMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
20Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
10Analysis or design of chemical reactions, syntheses or processes
 Appl.No 19269154 Applicant CHIYODA CORPORATION Inventor Hideki SATO

An information processing device including a processor that acquires an operating parameter regarding a reaction device that performs a predetermined chemical reaction and information regarding a substance used in the chemical reaction in the reaction device, the information processing device determines a parameter of a first reaction state predicted as the reaction state of the substance when the chemical reaction is performed with the operating parameter in the reaction device, the information processing device learns a prediction model that outputs a parameter of a second reaction state that is a reaction state of the substance in response to inputting information regarding the substance and the operating parameter by using the acquired information regarding the substance, the acquired operating parameter and the parameter of the first reaction state as learning data, and the information processing device stores the learned prediction model in a storage unit.

3.20250342914ANSWER GENERATION METHOD AND SYSTEM
US - 06.11.2025
Int.Class G16C 20/10
GPHYSICS
16INFORMATION AND COMMUNICATION TECHNOLOGY SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
CCOMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
20Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
10Analysis or design of chemical reactions, syntheses or processes
 Appl.No 19269027 Applicant LG MANAGEMENT DEVELOPMENT INSTITUTE CO., LTD. Inventor Rodrigo HORMAZABAL

An answer generation method and system may relate to an answer generation method and system using an ultra-large foundation model, and an answer generation platform based on an ultra-large foundation model. In addition, an answer generation method and system may relates to a chemical reaction prediction system, a control method thereof, and a learning method of a chemical reaction prediction system. More specifically, the chemical reaction prediction system may perform forward reaction prediction based on an electron flow.

4.20250342918A SYSTEM FOR IDENTIFYING HYDROGEN STORAGE PROPERTIES OF METAL ALLOYS AND A METHOD THEREOF
US - 06.11.2025
Int.Class G16C 60/00
GPHYSICS
16INFORMATION AND COMMUNICATION TECHNOLOGY SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
CCOMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
60Computational materials science, i.e. ICT specially adapted for investigating the physical or chemical properties of materials or phenomena associated with their design, synthesis, processing, characterisation or utilisation
 Appl.No 18866419 Applicant COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH Inventor Kavita Purushottam JOSHI

The present invention provides an automated method (100) and system (200) for identifying hydrogen storage properties of metal alloys. More particularly, the invention provides a method and system for identification of materials for solid hydrogen storage in multi-component metal alloys. The system (200) can predict hydrogen weight capacity and equilibrium plateau pressure at different temperatures along with enthalpy of hydride formation of multi-component metal alloys with high predictability and case of interpretation. Further, a suitable alloy can be identified by the method (100) employed using the system (200) for hydrogen storage applications based on the hydrogen weight capacity and the equilibrium plateau pressure at different temperatures and enthalpy of hydrogenation, wherein an absorption temperature of the suitable alloy plays a vital role.

5.20250342905SYSTEM AND METHOD FOR PROFILING BIOMOLECULES
US - 06.11.2025
Int.Class G16B 15/30
GPHYSICS
16INFORMATION AND COMMUNICATION TECHNOLOGY SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
BBIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
15ICT specially adapted for analysing two-dimensional or three-dimensional molecular structures, e.g. structural or functional relations or structure alignment
30Drug targeting using structural data; Docking or binding prediction
 Appl.No 18655243 Applicant Xin Gao Inventor Xin Gao

Presented is a process designed to provide a biomolecular profile for drug discovery endeavors. This process commences by receiving one or more compounds intended for addressing at least one disease. A biomolecular profile is initialized for a collection of biomolecules linked to the specified disease, weighing the relevance of each biomolecule to said disease. Further, the biomolecular profile undergoes updates contingent upon one or more quantifiable measures gauging the interaction between each compound and every biomolecule within the set.

6.WO/2025/228811METHOD FOR DETERMINING ONE OR MORE BIOLOGICAL AND/OR CHEMICAL ATTRIBUTE(S)
WO - 06.11.2025
Int.Class G16C 20/30
GPHYSICS
16INFORMATION AND COMMUNICATION TECHNOLOGY SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
CCOMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
20Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
30Prediction of properties of chemical compounds, compositions or mixtures
 Appl.No PCT/EP2025/061344 Applicant BASF SE Inventor HERRMANN, Jan Philipp
The disclosure relates to the technical field of trustworthy artificial intelligence for controlling and/or monitoring chemical and/or biological products. The disclosure relates to methods and apparatuses for determining a biological and/or chemical attribute related to sample data associated with the biological and/or chemical product.
7.WO/2025/229096GENERATING AN ENVIRONMENTAL PROPERTY ASSOCIATED WITH A PRODUCTION OF A CHEMICALLY PRODUCED SUBSTANCE FOR OPERATING OR MONITORING A PRODUCTION OF A CHEMICAL PRODUCT
WO - 06.11.2025
Int.Class G16C 99/00
GPHYSICS
16INFORMATION AND COMMUNICATION TECHNOLOGY SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
CCOMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
99Subject matter not provided for in other groups of this subclass
 Appl.No PCT/EP2025/061903 Applicant BASF SE Inventor GRUMBRECHT, Bastian
The invention refers to a computer-implemented method for generating an environmental property associated with the production of a chemically produced substance. The method includes receiving a representation of the substance indicative of its chemical structure, process parameters indicative of production processes, and an environmental property model configured to generate the environmental property based on these inputs. The model is machine learning-based and parameterized using a training dataset comprising representations of various substances, their process parameters, and associated environmental properties. The method involves generating the environmental property associated with the production of the substance using the model, representation, and process parameters, and subsequently providing the generated environmental property.
8.WO/2025/229023DRUG DESIGN METHOD USING ACTIVE LEARNING OVER SYNTHON SPACE
WO - 06.11.2025
Int.Class G16B 15/30
GPHYSICS
16INFORMATION AND COMMUNICATION TECHNOLOGY SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
BBIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
15ICT specially adapted for analysing two-dimensional or three-dimensional molecular structures, e.g. structural or functional relations or structure alignment
30Drug targeting using structural data; Docking or binding prediction
 Appl.No PCT/EP2025/061768 Applicant RECURSION PHARMACEUTICALS, INC. Inventor TAOUIL, Adam
The invention provides an active learning method for drug design that involves training surrogate models on synthon space – rather than molecule space or product space – to predict synthons that have a high probability of scoring favourably for a given objective function. Importantly, this means that combinatorial space is reduced by orders of magnitude prior to enumeration of molecules. In turn, this means that the total number of molecules that need to be scored via evaluation of an expensive scoring function is decreased drastically. The method achieves these benefits while also being then able to thereby identify optimised molecules – using the optimally identified synthons – in an enumerated molecule space.
9.WO/2025/229053VACANCIES IN CARBON-BASED 2D LAYERS AND CARBON-BASED STRUCTURES
WO - 06.11.2025
Int.Class G06F 30/00
GPHYSICS
06COMPUTING; CALCULATING OR COUNTING
FELECTRIC DIGITAL DATA PROCESSING
30Computer-aided design
 Appl.No PCT/EP2025/061820 Applicant UNIVERSITAT DE BARCELONA Inventor RIBEIRO MOREIRA, Iberio de Pinho
The disclosure provides a computer-implemented method for determining a vacancy-pattern for a 2D layer, the 2D layer comprising a carbon-based hexagonal lattice of carbon atoms, the vacancy-pattern defining a set of positions of carbon atoms within the 2D layer to be removed in a closed region of the 2D layer for obtaining a carbon-based material with a lower density than the 2D layer. The disclosure further provides a computer program, a carbon-based structure, and a system to provide a carbon-based structure.
10.20250342917Federated Distributed Computational Graph Platform for Oncological Therapy and Biological Systems Analysis With Neurosymbolic Deep Learning
US - 06.11.2025
Int.Class G16C 20/30
GPHYSICS
16INFORMATION AND COMMUNICATION TECHNOLOGY SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
CCOMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
20Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
30Prediction of properties of chemical compounds, compositions or mixtures
 Appl.No 19267388 Applicant QOMPLX LLC Inventor Jason Crabtree

A federated distributed computational system enables secure drug discovery and resistance tracking through hybrid simulation capabilities. The system implements a hybrid simulation orchestrator that coordinates molecular dynamics simulations with machine learning models for drug discovery analysis, while maintaining secure cross-institutional data exchange. The architecture coordinates multi-scale spatiotemporal synchronization across computational nodes, with each node containing local processing capabilities for molecular dynamics simulation and resistance pattern detection. Through a distributed graph architecture, the system enables real-world clinical data integration, resistance evolution tracking, and multi-scale tensor-based analysis with adaptive dimensionality control. The system implements real-time drug response prediction through multi-modal data analysis, enabling pharmaceutical companies and research institutions to collaborate on complex drug discovery projects while maintaining strict data privacy controls.

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