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Analysis

1 / 3,864
1.WO/2025/254120INFORMATION PROCESSING DEVICE, INFORMATION PROCESSING METHOD, AND INFORMATION PROCESSING PROGRAM
WO - 11.12.2025
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 PCT/JP2025/020095 Applicant RESONAC CORPORATION Inventor SAITO, Tatsushi
The present invention improves calculation accuracy when calculating an aggregate. This information processing device comprises: a first acquisition unit that acquires a basic model when calculating an aggregate; a binding determination unit that determines the presence or absence of binding between atoms in the basic model; a constraint condition setting unit that sets a constraint condition between atoms determined to be bound; and a second acquisition unit that acquires an initial model, which is an initial structure model for calculating the aggregate, by instructing a relaxation calculation by disposing, in a calculation space, a relaxation calculation model in which the basic model is disposed in plurality and the constraint condition is set between atoms.
2.WO/2025/253025SUNSCREEN COMPOSITION COMPRISING RENEWABLE UV FILTERS
WO - 11.12.2025
Int.Class G16C 20/00
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
 Appl.No PCT/EP2025/066148 Applicant DSM IP ASSETS B.V. Inventor GLAUS, Florian David
The present invention relates to a sunscreen composition comprising renewable UV filters, having a maximum mass balanced renewable or renewable carbon content and, at the same time, satisfying the desired properties in terms of high sun protection factor, UVA protection factor, appealing skin feel, and minimal impact on the environment.
3.WO/2025/251567METHOD FOR EVALUATING STABILITY OF CORROSION-RESISTANT MATERIAL
WO - 11.12.2025
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 PCT/CN2024/137268 Applicant OCEAN UNIVERSITY OF CHINA Inventor LI, Huajun
A method for evaluating stability of a corrosion-resistant material. The method is implemented by means of a damped Schrödinger equation transformed on the basis of a Mathieu equation. The damped Schrödinger equation transformed on the basis of a Mathieu equation is: equation (1), wherein ψ the molecular motion state of the corrosion-resistant material, formula (2), formula (3), formula (4), the second term c of the equation is a "spatial damping" term, and on the basis of various properties of the corrosion-resistant material, h is a reduced Planck constant, m is the mass of a particle, Ko is a wave number, and Vo is a constant term, so that parameters a and b are calculated. Therefore, the stability of the material can be evaluated.
4.102025117436VERFAHREN ZUR ERZEUGUNG VON MOLEKÜLEN MIT FRAGMENT RETRIEVAL AUGMENTATION
DE - 11.12.2025
Int.Class G16C 20/70
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
70Machine learning, data mining or chemometrics
 Appl.No 102025117436 Applicant NVIDIA Corporation Inventor Nie Weili

Das offenbarte Verfahren zum Erzeugen von Molekülen beinhaltet ein Auswählen, basierend auf einer oder mehreren Moleküleigenschaften, eines oder mehrerer harter Molekülfragmente und eines oder mehrerer weicher Molekülfragmente; und ein Verarbeiten, unter Verwendung eines trainierten Modells zum maschinellen Lernen, des einen oder der mehreren harten Molekülfragmente und des einen oder der mehreren weichen Molekülfragmente, um ein Molekül zu erzeugen, wobei das Molekül das eine oder die mehreren harten Molekülfragmente beinhaltet, und wobei das trainierte Modell zum maschinellen Lernen das Molekül basierend auf dem einen oder den mehreren weichen Molekülfragmenten erzeugt. embedded image

5.WO/2025/254838NON-INVASIVE PRENATAL TESTING FOR AUTOSOMAL RECESSIVE DISEASES
WO - 11.12.2025
Int.Class C12Q 1/6883
CCHEMISTRY; METALLURGY
12BIOCHEMISTRY; BEER; SPIRITS; WINE; VINEGAR; MICROBIOLOGY; ENZYMOLOGY; MUTATION OR GENETIC ENGINEERING
QMEASURING OR TESTING PROCESSES INVOLVING ENZYMES, NUCLEIC ACIDS OR MICROORGANISMS; COMPOSITIONS OR TEST PAPERS THEREFOR; PROCESSES OF PREPARING SUCH COMPOSITIONS; CONDITION-RESPONSIVE CONTROL IN MICROBIOLOGICAL OR ENZYMOLOGICAL PROCESSES
1Measuring or testing processes involving enzymes, nucleic acids or microorganisms; Compositions therefor; Processes of preparing such compositions
68involving nucleic acids
6876Nucleic acid products used in the analysis of nucleic acids, e.g. primers or probes
6883for diseases caused by alterations of genetic material
 Appl.No PCT/US2025/030571 Applicant THE REGENTS OF THE UNIVERSITY OF CALIFORNIA Inventor MACK, Steven
Compositions, methods, kits, systems, and software are provided for non-invasive prenatal testing for autosomal recessive diseases. Next generation sequencing is used to sequence maternal and fetal DNA isolated from maternal plasma by probe capture. The fetal fraction of the sequencing reads for DNA isolated from maternal plasma is estimated by counting single nucleotide polymorphisms (SNPs) for which an allele is detected that is present in the paternal haplotype but absent in the maternal haplotype, based on the assumption that SNPs having a paternal allele belong to the fetal DNA. The fetal fraction is bioinformatically enriched by excluding sequencing reads over a specified length via in-silico size selection, which increases fetal genotype prediction accuracy. Parental haplotype information together with the read ratios observed at the linked SNPs is used to predict the fetal genotype at a site of a mutation linked to the autosomal recessive disease.
6.WO/2025/253024METHOD AND DEVICE FOR PROVIDING A PLURALITY OF CONCENTRATION RANGES FOR COSMETIC INGREDIENTS IN A COSMETIC INGREDIENT COMPOSITION
WO - 11.12.2025
Int.Class G16C 20/00
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
 Appl.No PCT/EP2025/066140 Applicant DSM IP ASSETS B.V. Inventor SCHLIFKE-POSCHALKO, Alexander
The computer-implemented method (100) for providing a plurality of concentration ranges for cosmetic ingredients in a cosmetic ingredient composition, under constraint of variety comprises: - a step (105) of inputting at least one cosmetic ingredient digital identifier, - a step (110) of defining a primary target cosmetic ingredient composition property value, - a step (115) of retrieving, from a database, or predicting for each cosmetic ingredient digital identifier, at least one cosmetic ingredient composition property value, - a step (120) of computing, for each cosmetic ingredient digital identifier, a cosmetic ingredient concentration value, - a step (125) of calculating a secondary target cosmetic ingredient composition property value which corresponds to a degraded alternative to the primary target, - a step (130) of determining, for each cosmetic ingredient digital identifier, a cosmetic ingredient concentration value to maximize a distance value from the concentration computed during the step of computing, - a step (135) of providing at least one of the cosmetic ingredient concentration values computed and/or determined.
7.WO/2025/253375DIGITAL SMELL REFORMULATION
WO - 11.12.2025
Int.Class G01N 33/00
GPHYSICS
01MEASURING; TESTING
NINVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
33Investigating or analysing materials by specific methods not covered by groups G01N1/-G01N31/131
 Appl.No PCT/IL2025/050472 Applicant MOODIFY LTD. Inventor AMIT, Idan
There is provided a technique of computerized substituting an odor item of interest in a formula of a smell. The method comprises: generating for a given inventory of odor items a dataset informative, at least, of similarity of the pairs of odor items of interest with other odor in the inventory; processing data in the generated dataset to reveal one or more odor items meeting one or more similarity criteria, thereby generating one or more candidate odor items; and applying to the one or more generated candidate odor items an optimization algorithm to find, among them, a candidate odor item with the best fit to the formula of the smell. The resulting odor item is usable for substituting the odor item of interest in the formula of the smell. Similarity labels in the dataset can be provided with the help of a plurality of labeling functions applied to the pairs of odor items.
8.WO/2025/255490ASSESSING AND/OR REDUCING BINDING AFFINITY OF LIGANDS TO CYTOCHROME P450
WO - 11.12.2025
Int.Class C40B 30/04
CCHEMISTRY; METALLURGY
40COMBINATORIAL TECHNOLOGY
BCOMBINATORIAL CHEMISTRY; LIBRARIES, e.g. CHEMICAL LIBRARIES
30Methods of screening libraries
04by measuring the ability to specifically bind a target molecule, e.g. antibody-antigen binding, receptor-ligand binding
 Appl.No PCT/US2025/032685 Applicant SCHRÖDINGER, INC. Inventor MILLER, Edward Blake
The present disclosure relates to methods of assessing and/or reducing binding affinity of a test ligand to a cytochrome P450 (CYP) protein. The method can include determining a binding affinity of the test ligand to the CYP protein; building one or more three-dimensional (3D) models for the test ligand bound to the CYP protein; and validating at least one of the one or more 3D models based on the binding affinity. Systems related to such methods are also disclosed herein.
9.20250377285ASSESSMENT OF MICROBIOLOGICALLY INDUCED CORROSION IN PIPELINE
US - 11.12.2025
Int.Class G01N 17/00
GPHYSICS
01MEASURING; TESTING
NINVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
17Investigating resistance of materials to the weather, to corrosion or to light
 Appl.No 18734910 Applicant SAUDI ARABIAN OIL COMPANY Inventor Abdulrahman Mohammed ALQAHTANI

Methods and systems may be used for mitigation of microbiologically induced corrosion (MIC). For example, a method of mitigation of MIC may include: generating an MIC risk profile for a hydrocarbon pipeline, wherein generating the MIC risk profile comprises: simulating hydraulic flow using a hydraulic model, wherein a hydraulic model input comprises a pipe property, an operational property, a fluid property, or any combination thereof, and wherein a hydraulic model output comprises a hydraulic profile; simulating MIC using an MIC model, wherein an MIC model input comprises the hydraulic profile, a microbial property, or any combination thereof, and wherein an MIC model output comprises biofilm thickness, biofilm density, MIC rate, pitting frequency, or any combination thereof; generating the MIC risk profile based on a likelihood criteria, the MIC model output, or any combination thereof; and analyzing the MIC risk profile in order to calculate an MIC risk score.

10.WO/2025/251471EFFICIENT DISSOCIATION METHOD AND APPARATUS FOR ELECTRODE MATERIAL IN LITHIUM BATTERY WASTE RESIDUE, DEVICE AND MEDIUM
WO - 11.12.2025
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 PCT/CN2024/121937 Applicant YICHUN FURUI GAS CO., LTD. Inventor WANG, Yongping
The present invention relates to an artificial intelligence technology. Disclosed are an efficient dissociation method and apparatus for an electrode material in lithium battery waste residues, a device and a medium. The method comprises: grouping preset experimental data, so as to obtain electrode material features of the experimental data, and extracting from the electrode material features a temperature data set, a dissociation efficiency data set and a dissociation purity data set; calculating the decomposition temperature of each electrode material feature; using the decomposition temperatures to calculate the metal vapor pressure of each electrode material feature (S3); and, on the basis of the metal vapor pressure, the decomposition temperatures, the dissociation efficiency data set and the dissociation purity data set, performing optimal temperature analysis on the material features, so as to obtain optimal dissociation temperature data (S4). The present invention further provides an efficient dissociation apparatus for an electrode material in lithium battery waste residues, an electronic device and a storage medium. The present invention can solve the problems of low dissociation efficiency and low dissociation purity of electrode materials during electrode material dissociation caused by failure to accurately determine pyrolysis temperatures.
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