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1 / 3,807
1.WO/2025/248466METHOD AND DEVICE FOR THE SELECTION OF PROCESSING PARAMETERS FOR NANOMATERIAL COMPOSITIONS
WO - 04.12.2025
Int.Class G16B 40/20
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
40ICT specially adapted for biostatistics; ICT specially adapted for bioinformatics-related machine learning or data mining, e.g. knowledge discovery or pattern finding
20Supervised data analysis
 Appl.No PCT/IB2025/055517 Applicant UNIVERSITA' DEGLI STUDI DI PAVIA Inventor VISAI, Livia
A method for the selection of processing parameters for nanomaterial compositions is performed by preparing a baseline model wherein a nanomaterial composition interacts with a disease model. It is then acquired a baseline interaction between the nanomaterial composition and the disease model. A perturbation is applied iteratively by changing at each iteration at least one parameter of the perturbation and acquiring at each iteration a perturbation parameter describing a protein corona formation on said first nanomaterial composition under the effect of the perturbation. Finally, it is identified and selected among the perturbation parameters at least one processing parameter minimizing the formation of protein corona.
2.WO/2025/247796METHODS FOR COLLISION CROSS-SECTION PREDICTION AND ION MOBILITY TANDEM MS ANALYTICAL METHODS USING SUCH METHODS
WO - 04.12.2025
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/EP2025/064433 Applicant BRUKER DALTONICS GMBH & CO. KG Inventor WEINKOUFF, Sofie
A computer implemented method of training machine learning models for the predictive calculation of a collision cross-section (CCS) value of a molecular structure belonging to a similarity structure family, comprising: collecting data from an existing database with at least molecular structure information and associated values of collision cross-section values, in that for training for a model for that similarity structure family a training subset from that database is generated for said similarity structure family, in that a) molecular fingerprints are calculated for the molecular structures in the database, and b) the calculated molecular fingerprints are clustered in similarity groups of (highest) fingerprint similarity, c) and for training the machine learning models for prediction of a similarity structure family only the information of molecular structures belonging to the same similarity group is used.
3.WO/2025/250884METHOD FOR QUANTITATIVE ANALYSIS OF 4D METABOLOMICS AND LIPIDOMICS DATA
WO - 04.12.2025
Int.Class G16C 20/20
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
20Identification of molecular entities, parts thereof or of chemical compositions
 Appl.No PCT/US2025/031569 Applicant WASHINGTON UNIVERSITY Inventor WANG, Lingjue
The present disclosure generally relates to efficient methods for processing complex 4D data obtained from metabolomic and/or lipidomic analysis of biological samples. Specifically, the present disclosure provides a method of mathematically transforming 4D LC-IMS-MS data into a pseudo-3D format. Feature detection in the pseudo-3D data may be performed using conventional feature detection software. software. Feature-related data may then be used to analyze the 4D data to identify further feature-related data, which is then used to identify an associated metabolite. Also disclosed are systems for performing methods of the disclosure.
4.WO/2025/249293INFORMATION PROCESSING METHOD, INFORMATION PROCESSING SYSTEM, AND PROGRAM
WO - 04.12.2025
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/JP2025/018573 Applicant PANASONIC INTELLECTUAL PROPERTY MANAGEMENT CO., LTD. Inventor YOKOYAMA Tomoyasu
This information processing method involves: obtaining first porous physical property information which expresses the physical properties of a first porous structure itself which comprises a plurality of particles; obtaining first material physical property information which pertains to the material physical properties of the first porous structure and includes (a) information expressing a physical property or a substance name of a plurality of particles, and/or (b) information expressing a physical property or a substance name of a substance filling a gap between the plurality of particles; obtaining first particle information pertaining to the structure and/or positional relationship of the plurality of particles; generating structure information expressing a structure of a second porous structure in which the structure and/or positional relationship of the plurality of particles of the first porous structure has been taken into consideration, by using the first porous physical property information, the first material physical property information, and the first particle information; and outputting the structure information.
5.WO/2025/247742INTELLIGENT MONITORING OF MATERIAL PRODUCTION
WO - 04.12.2025
Int.Class G06Q 10/10
GPHYSICS
06COMPUTING; CALCULATING OR COUNTING
QINFORMATION AND COMMUNICATION TECHNOLOGY SPECIALLY ADAPTED FOR ADMINISTRATIVE, COMMERCIAL, FINANCIAL, MANAGERIAL OR SUPERVISORY PURPOSES; SYSTEMS OR METHODS SPECIALLY ADAPTED FOR ADMINISTRATIVE, COMMERCIAL, FINANCIAL, MANAGERIAL OR SUPERVISORY PURPOSES, NOT OTHERWISE PROVIDED FOR
10Administration; Management
10Office automation; Time management
 Appl.No PCT/EP2025/064119 Applicant BASF SE Inventor GISZAS, Wilfried
The present disclosure relates to the intelligent monitoring of output materials using large language models. Disclosed are methods, apparatuses, systems for monitoring and/or controlling output materials produced or to be produced by a distributed chemical production network to enhance handling of the output materials for users.
6.WO/2025/249692METHOD FOR CONSTRUCTING DATABASE ON DEFORMATION AND STRESS OF MATERIAL
WO - 04.12.2025
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/KR2024/097117 Applicant FOUNDATION OF SOONGSIL UNIVERSITY-INDUSTRY COOPERATION Inventor KIM, Ji Woong
One embodiment of the present invention provides a method for constructing a database on deformation and stress of a material, the method comprising: a step of generating a probability-based model in which the irregular distribution of elements is reflected; a structure optimization step of optimizing the structure of the model; a deformation calculation step of creating a series of strained models by deforming the optimized model, and calculating physical properties in the desired direction; and a data analysis step of extracting a tensile test result by using the calculated data. Therefore, a prediction about the physical properties of a material to be developed is provided so that experiments can be efficiently planned and empirical trials and errors can be reduced.
7.WO/2025/247801DETERMINATION OF A DOSAGE OF A NONSTEROIDAL MINERALOCORTICOID RECEPTOR ANTAGONIST
WO - 04.12.2025
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/EP2025/064444 Applicant BAYER AKTIENGESELLSCHAFT Inventor EISSING, Thomas
Systems, methods, and computer programs disclosed herein relate to the determination of a dosage of a mineralocorticoid receptor antagonist (MRA) for a patient suffering from a disease that can be treated with an MRA.
8.WO/2025/246359METHOD FOR DEVELOPING GROUTING MATERIAL FOR RAPID CONNECTION SYSTEM OF FULLY ASSEMBLED BRIDGE
WO - 04.12.2025
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/CN2024/144196 Applicant CHINA CONSTRUCTION EIGHTH ENGINEERINGBUREAU CORP., LTD THIRD COMPANY Inventor LIU, Changquan
The present invention relates to the technical field of grouting materials, and provides a method for developing a grouting material for a rapid connection system of a fully assembled bridge, comprising the following steps: study on optimization of the compatibility of nano-silica fume-cement-admixture; calculation and construction of a nano-silica fume-cement-admixture-aggregate close-packed system; design of the preparation process and mix ratio of a rapid-hardening grouting material; study on the rheological properties and rheological mechanism of the rapid-hardening grouting material; study on the influence patterns of parameters on the hourly strength and volume stability of the rapid-hardening grouting material; and construction of a microstructure model for the rapid-hardening grouting material. The grouting material developed by the present invention exhibits significant advantages in terms of hardening time, flowability, early strength, volume stability, impermeability and durability, and the like, and can meet the requirements of rapid connection systems for fully assembled bridges, thereby improving the efficiency and quality of bridge construction.
9.WO/2025/250829SYSTEMS AND DEVICES FOR BIOMINING AND METHODS THEREOF
WO - 04.12.2025
Int.Class B01D 15/38
BPERFORMING OPERATIONS; TRANSPORTING
01PHYSICAL OR CHEMICAL PROCESSES OR APPARATUS IN GENERAL
DSEPARATION
15Separating processes involving the treatment of liquids with solid sorbents; Apparatus therefor
08Selective adsorption, e.g. chromatography
26characterised by the separation mechanism
38involving specific interaction not covered by one or more of groups B01D15/30-B01D15/36120
 Appl.No PCT/US2025/031487 Applicant GIRAFFE BIO, INC. Inventor MARCHESINI, Gerardo Raul
The present disclosure provides systems for biomining a target metal from a medium obtained from a geological sample and related methods thereof. In some embodiments, the system can comprise a substrate comprising a patterned array of peptide molecules on a surface of the substrate. The patterned array of peptide molecules can comprise a plurality of candidate peptide molecules for binding and extracting the target metal from the medium. The substrate can be utilized to identify (or design) one or more optimal peptide molecules for binding to and biomining the target metal from geological samples.
10.20250364090IMPLICITLY GUIDED GENERATION BY MATCHING DATA POINTS
US - 27.11.2025
Int.Class G16C 20/50
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
50Molecular design, e.g. of drugs
 Appl.No 19216601 Applicant Genentech, Inc. Inventor Pedro Henrique OLIVEIRA-PINHEIRO

An input molecule exhibiting a value for one or more properties may be identified. A molecule design computation model may be applied to generate one or more output molecule exhibiting a different value for the one or more properties than the input molecule. The molecule design computation model may generate the one or more output molecules by at least encoding the input molecule to generate an embedding of the input molecule, and decoding the embedding of the input molecule to generate the one or more output molecules. In some cases, the molecule design computation model may generate the one or more output molecules by denoising an input molecule while conditioned on the input molecule. In some cases, the molecule design computation model may operate on a joint representation of the input molecule that combines a linear and a three-dimensional representation of the input molecule.

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