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1.20200251187SYSTEM AND METHOD FOR EVALUATION OF ATLEAST ONE POTENTIAL TASTANT FROM A PLURALITY OF TASTANTS
US 06.08.2020
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 16783824 Applicant Tata Consultancy Services Limited Inventor Anukrati GOEL

A processor implemented method of evaluating at least one potential tastant from a plurality of tastants is provided. The processor implemented method includes at least one of: receiving, information associated with a plurality of molecular activities; generating, a plurality of data-based models based on the known taste index associated with at least one tastant and information from associated molecular structure/descriptors; classifying, a new molecule based on the generated data-based models for the at least one tastant; screening, the one or more classified new molecules in an applicability domain of the generated data-based models based on the physics-based models by at least one molecular modeling technique; and evaluating, the at least one potential tastant from the screened molecules based on at least one of a bioavailability and a toxicity. In an embodiment, the plurality of molecular activities corresponds to a taste index and a binding energy.

2.20200249222SYSTEM AND METHOD FOR AUTOMATED DETERMINATION OF THE RELATIVE EFFECTIVENESS OF ANTI-CANCER DRUG CANDIDATES
US 06.08.2020
Int.Class G01N 33/50
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
48Biological material, e.g. blood, urine; Haemocytometers
50Chemical analysis of biological material, e.g. blood, urine; Testing involving biospecific ligand binding methods; Immunological testing
Appl.No 16591389 Applicant DiaTech Oncology, LLC Inventor Mathieu Perree

A computer system is provided for determining the relative effectiveness of anti-cancer drugs. The interface has selectable options, including an option to manage drug testing parameters, and enables user selection of desired drug testing parameters in relation to a virtual well plate associated with a physical well plate of a spectrophotometer. The computer system causes the spectrophotometer to start a drug test, wherein the physical well plate includes at least one test well containing viable cancer cells; and at least one drug candidate in a predetermined concentration; and at least one control well containing the viable cancer cells alone. The system records the optical density of the well at a predetermined wavelength at selected time intervals for a selected duration of time, and stores the optical density and time measurements in the database. An activity value is calculated from the optical density and time measurements, and a correlation is displayed between the activity value and the drug candidate's ability to induce apoptosis in the cancer cells.

3.WO/2020/160111METHOD, SYSTEM, AND COMPUTER PROGRAM PRODUCT FOR CREATING A RECIPE FOR A CHEMICAL COMPOSITION
WO 06.08.2020
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 PCT/US2020/015623 Applicant COVESTRO LLC Inventor STEPPAN, David D.
A method of creating a recipe for a chemical composition, includes: receiving a property input from a user including at least one target physical property for a polymeric product to be produced from the chemical composition; receiving an initial chemical component for inclusion in the recipe; determining whether inclusion of the one or more initial chemical components in the recipe would produce the polymeric product having the at least one target physical property; generating, an advisory component recommendation comprising one or more additional or alternative chemical components for inclusion in the recipe; and modifying the recipe to include the one or more additional or alternative chemical components. A system and a computer program product for creating a recipe for a chemical composition are also disclosed.
4.20200251186SYSTEMS AND METHODS FOR USING BEHAVIOR DATA OF IMPURITIES AND TARGET PROTEINS TO DESIGN DOWNSTREAM PROCESSES
US 06.08.2020
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 16499776 Applicant Massachusetts Institute of Technology Inventor J. Christopher Love

Systems and methods for generating and evaluating candidate sequences of partitioning steps to partition at least one biologically produced product from at least one impurity. In some embodiments, a plurality of candidate sequences of partitioning steps may be generated, wherein at least one candidate sequence of the plurality of candidate sequences comprises a plurality of partitioning steps in a specified order. The plurality of candidate sequences may be evaluated. For instance, a data set associated with the at least one partitioning step may be accessed, the data set comprising: first data indicative of a behavior of the at least one biologically produced product with respect to the at least one partitioning step; and second data indicative of a behavior of the at least one impurity with respect to the at least one partitioning step. The at least one candidate sequence may be scored based at least in part on the data set.

5.WO/2020/155865DELAYED COKING MODEL INTEGRATION METHOD
WO 06.08.2020
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/CN2019/124316 Applicant EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY Inventor QIAN, Feng
A delayed coking model integration method. The method comprises the following steps: (1) associating macroscopic property fingerprint data of feedstock with component content fingerprint data of feedstock used in a delayed coker; (2) integrating with a coking reaction model to obtain a yield of products from coking; (3) performing fitting, according to coke product data and the yield obtained in step (2), to obtain fingerprint data relating to a full-range product from delayed coking; and (4) integrating with a fractionation model to realize separation of gases, liquefied gases, gas oil, diesel and wax oil.
6.3690440METHODS AND DEVICES FOR A SEED GERMINATION PROFILE INDICATOR BASED ON ELECTRICAL CONDUCTIVITY
EP 05.08.2020
Int.Class G01N 33/50
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
48Biological material, e.g. blood, urine; Haemocytometers
50Chemical analysis of biological material, e.g. blood, urine; Testing involving biospecific ligand binding methods; Immunological testing
Appl.No 20155562 Applicant SE CURE PHARMACEUTICALS LTD Inventor GUTTERMAN RON
The present invention discloses methods and devices for a germination profile indicator based on conductivity including: utilizing a target-profile correlation of a target profile of an API from a plant seed to a target germination stage, the target profile includes identifying characteristics of chemical components, and wherein the target germination stage relates to a progress of a seed-germination process of the target profile; utilizing a process-profile correlation of germination-process profiles during the seed-germination process to respective process germination stages, wherein each germination-process profile relates to extracted seed material during the respective process germination stage; comparing characteristics of the target profile to corresponding features in the germination-process profiles; selecting an optimal state of the respective process germination stage to maximize an API quantity; and cross-correlating the optimal state to a conductivity range for the seed in a soak water within a given temperature range to identify a temperature-dependent germination stopping condition.
7.3688764ASSESSMENT AND MANAGEMENT SYSTEM FOR REHABILITATIVE CONDITIONS AND RELATED METHODS
EP 05.08.2020
Int.Class G16C 10/00
GPHYSICS
16INFORMATION AND COMMUNICATION TECHNOLOGY SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
CCOMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
10Computational theoretical chemistry, i.e. ICT specially adapted for theoretical aspects of quantum chemistry, molecular mechanics, molecular dynamics or the like
Appl.No 18861460 Applicant CHICAGO REHABILITATION INST Inventor CHANG CHIH-HUNG
Systems and methods are disclosed for the measurement of patient outcomes in a rehabilitation setting. In one exemplary method, an assessment relating to self-care is provided, an assessment relating to mobility is provided, and an assessment relating to cognition is provided, wherein the assessments have been pre-selected using item response theory.
8.20200242168BIPARTITE GRAPH STRUCTURE
US 30.07.2020
Int.Class G06F 16/901
GPHYSICS
06COMPUTING; CALCULATING OR COUNTING
FELECTRIC DIGITAL DATA PROCESSING
16Information retrieval; Database structures therefor; File system structures therefor
90Details of database functions independent of the retrieved data types
901Indexing; Data structures therefor; Storage structures
Appl.No 16844615 Applicant X Development LLC Inventor Jason Thompson

A bipartite graph structure is utilized to better store data. The bipartite graph structure may be used in a biochemical database to efficiently store a variety of molecules and processes that might occur between the molecules. Molecules are represented as molecule nodes, which may have metadata fields including a molecule name, a molecule type, a molecular formula, a sequence, a molecular charge, a set of molecular properties, and a set of component molecules. Processes operating on the molecules are represented by process nodes, which may have metadata fields including a process name, a set of process roles, a set of process properties, and a set of sub-processes. Edges, called roles, each associate a molecule node with a process node and represent the role the associated molecule plays in the associated process. The roles may contain metadata identifying the role type and the stoichiometry coefficient of the molecule in the process.

9.20200241007METHOD FOR ESTIMATING THE EFFECTIVENESS AGAINST RHEUMATOID ARTHRITIS OF A T-LYMPHOCYTE CO-STIMULATION MODULATOR AGENT
US 30.07.2020
Int.Class G01N 33/68
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
48Biological material, e.g. blood, urine; Haemocytometers
50Chemical analysis of biological material, e.g. blood, urine; Testing involving biospecific ligand binding methods; Immunological testing
68involving proteins, peptides or amino acids
Appl.No 16756600 Applicant SINNOVIAL Inventor Anaïs COURTIER

The disclosure relates to a method for estimating the effectiveness of treatment with a T-lymphocyte cell co-stimulation modulator agent in a patient with rheumatoid arthritis and who has had an inadequate response to prior biotherapy, consisting in analysing a biological sample of said patient for the expression of a set of biomarkers, the results of which make it possible to determine whether said modulator agent is a treatment that will engender a beneficial response for said patient. The disclosure also relates to a system for estimating the effectiveness of said treatment in said patient comprising means for measuring or receiving data concerning the expression level of said biomarkers and means for processing these data configured to estimate said effectiveness of said treatment in said patient. The biomarkers comprise at least two biomarkers selected from the group consisting of C4b-Binding Protein, C-Reactive Protein, Cartilage Oligomeric Matrix Protein, Fibronectin and Lipopolysaccharide-Binding Protein.

10.20200237670DYE-STABILIZED NANOPARTICLES AND METHODS OF THEIR MANUFACTURE AND THERAPEUTIC USE
US 30.07.2020
Int.Class A61K 9/16
AHUMAN NECESSITIES
61MEDICAL OR VETERINARY SCIENCE; HYGIENE
KPREPARATIONS FOR MEDICAL, DENTAL, OR TOILET PURPOSES
9Medicinal preparations characterised by special physical form
14Particulate form, e.g. powders
16Agglomerates; Granulates; Microbeadlets
Appl.No 16698572 Applicant Memorial Sloan Kettering Cancer Center Inventor Daniel A. HELLER

Described herein are nanoparticles which are largely made of (e.g., 90 wt. %) hydrophobic drugs and are stabilized by water soluble dyes. The nanoparticles can range in size from 30 nm to 150 nm and have highly negative surface charge (e.g., −55 mV). These nanoparticles are highly soluble in water, stable for days in PBS buffer and can be easily lyophilzed and reconstituted in water. Using quantitative self-assembly prediction calculations, topochemical molecular descriptors were identified and validated as highly predictive indicators of nano-assembly, nanoparticle size, and drug loading. The resulting nanoparticles selectively targeted kinase inhibitors to caveolin-1expressing human colon cancer and autochthonous liver cancer models to yield striking therapeutic effects while avoiding pERK inhibition in healthy skin. The nanoparticles exhibited remarkable anti-tumor efficacy in vitro and in vivo in models of hepatocellular carcinoma.