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Analysis

1.WO/2020/234617METHODS AND SYSTEMS FOR MANUFACTURING A PRODUCTION ASSAY REACTOR
WO 26.11.2020
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/IB2019/000561 Applicant BIOMERIEUX Inventor DRAZEK, Laurent
The invention provides for methods and systems involving the measurement of values of one or several characterizing parameters representative of the kinetics of an assay chemical reaction, including - providing a calibration tool (26) comprising a reaction chamber (28); - for a given set of defining features, performing a series of calibration experiments under different sets of calibration values of at least one operating parameter, - providing a digital calibration model representative of the kinetics of the assay chemical reaction in the calibration tool, where the assay digital calibration model comprises one or several characterizing parameters, the values of which have a dependency on the given set of defining features used for the calibration experiments; -fitting, by computation, the values of the characterizing parameters for the given set of defining features, based on the series of calibration experiment results, wherein the reaction chamber (28) is a stirred-tank reactor.
2.WO/2020/236314PROPERTY MODULATION WITH CHEMICAL TRANSFORMATIONS
WO 26.11.2020
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/US2020/026002 Applicant THE REGENTS OF THE UNIVERSITY OF MICHIGAN Inventor CERNAK, Timothy
Disclosed herein is a method of generating a combinatorial library of products having a diverse array of properties. In particular, the method comprises: (a) selecting one or more pairs of reactants comprising complementary functional groups; (b) mapping all possible bond arrangements between the complementary functional groups of each pair to provide a library of possible products; (c) analyzing one or more properties of each possible product to select one or more products with desired properties (desired products); and (d) synthesizing the one or more desired products. Further disclosed herein is a method that involves the retrosynthetic reduction of a complex molecule into simple starting materials
3.WO/2020/236544CONTROLLING INTERSAMPLE ANALYTE VARIABILITY IN COMPLEX BIOLOGICAL MATRICES
WO 26.11.2020
Int.Class G01N 33/48
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
Appl.No PCT/US2020/033033 Applicant SOMALOGIC, INC. Inventor HRAHA, Thomas
Described herein are compositions and methods for normalizing the variability of inter-sample analyte measurements from a biological matrix. In some embodiments, the present disclosure relates to methods for normalizing the levels of one or more proteins from urine as measured by an aptamer based assay.
4.20200372978METHOD TO DISTINGUISH PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA FULL AGONIST, PARTIAL AGONIST AND ANTAGONIST WITH DIFFERENT ACTIVITIES AND IDENTIFICATION THEREOF
US 26.11.2020
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 16816306 Applicant Nanjing University Inventor Hongling LIU

The present invention discloses a method of constructing a pharmacophore to determine whether a molecule is a peroxisome proliferator-activated receptor γ full agonist, partial agonist or antagonist in terms of a binding energy or a free energy surface comprising: providing a protein receptor mimicking said peroxisome proliferator-activated receptor γ and a corresponding ligand; docking the corresponding ligand and the protein receptor to form a docked conformation; performing at least two rounds of molecular dynamic simulation to obtain at least one trajectory and at least one free energy surface; inputting the trajectory to construct at least one pharmacophore and obtaining the binding energy of the corresponding ligand; comparing the molecule with the corresponding ligand in terms of the binding energy thereof to the protein receptor in order to determine whether the molecule is the peroxisome proliferator-activated receptor γ full agonist, partial agonist or antagonist.

5.20200372977AUTOMATED TRANSITIVE READ-BEHIND ANALYSIS IN BIG DATA TOXICOLOGY
US 26.11.2020
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 16419100 Applicant International Business Machines Corporation Inventor Rebecca MORONES

Techniques for probabilistic analysis of chemicals are provided. An indication of a proposed chemical composition is received. A predicted toxicity score is generated for the proposed chemical composition by performing probabilistic analysis on the proposed chemical composition. The probabilistic analysis includes identifying, based on a knowledge graph, at least one similar composition that is structurally similar to the proposed chemical composition. The analysis also includes identifying a set of chemical reactions that include the at least one similar composition, and determining one or more products of the identified set of chemical reactions. The probabilistic analysis further includes determining a toxicity of at least one of the one or more products. Finally, the predicted toxicity score is returned.

6.20200370124SYSTEMS AND METHODS FOR PREDICTING THE EFFICACY OF CANCER THERAPY
US 26.11.2020
Int.Class C12Q 1/6886
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
6886for cancer
Appl.No 16764816 Applicant GMDx Co Pty Ltd. Inventor Nathan E. HALL

This invention relates generally to systems and methods for predicting the efficacy of a cancer therapy in a subject. The systems and methods of the disclosure can be used, for example, to determine a therapy indicator for use in assessing responsiveness to cancer therapy, to determine whether a subject is likely to respond to a new cancer therapy, and/or to determine whether a subject is likely to continue to respond to current cancer therapy.

7.20200373014DETERMINATION OF LIKELIHOOD OF SUFFERING RENAL DISEASE
US 26.11.2020
Int.Class G16H 50/20
GPHYSICS
16INFORMATION AND COMMUNICATION TECHNOLOGY SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
HHEALTHCARE INFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY SPECIALLY ADAPTED FOR THE HANDLING OR PROCESSING OF MEDICAL OR HEALTHCARE DATA
50ICT specially adapted for medical diagnosis, medical simulation or medical data mining; ICT specially adapted for detecting, monitoring or modelling epidemics or pandemics
20for computer-aided diagnosis, e.g. based on medical expert systems
Appl.No 16881588 Applicant Yuan-Hau LIN Inventor Yuan-Hau LIN

The disclosure relates to determination of likelihood of suffering a renal disease. Particularly, the disclosure relates to using data derived from isotopic ratios of hydrogen and oxygen of water in biological samples for determination of likelihood of suffering a renal disease.

8.3740953ENHANCED REALITY REHABILITATION SYSTEM AND METHOD OF USING THE SAME
EP 25.11.2020
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 19741042 Applicant PATEL AMISH Inventor PATEL AMISH
A network-based rehabilitation system for treating ailments of a user utilizing an enhanced reality environment is provided. The system has an enhanced reality device wearable by the user, the device being in communication with a network and configured to enable a user to interact with the enhanced reality environment to execute a rehabilitation routine; at least one sensor configured to capture biometrics of the user, a condition of the user, or both, wherein the at least one sensor is in communication with the enhanced reality device and the network; a progress analysis module configured to analyze a rehabilitation routine performance of the user, and a routine modification module configured to adjust the rehabilitation routine based on the performance of the user, wherein the routine modification module executes a machine learning algorithm and recommends a routine adjustment based on the machine.
9.3742448FRAMEWORK FOR IN-SILICO DESIGN AND TESTING OF VEHICLES AND FORMULATIONS FOR DELIVERY OF ACTIVE MOLECULES
EP 25.11.2020
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 20175907 Applicant TATA CONSULTANCY SERVICES LTD Inventor PAREEK ADITYA
One of the key challenges in healthcare and personal care industries is arriving at an optimum delivery vehicle and formulation which can deliver a specified active molecule to an intended site of action with minimal or no side effects. This disclosure relates to method of designing and testing of a vehicle and formulation for delivery of an active molecule. A plurality of inputs is processed to generate plurality of drug delivery routes. The vehicle associated with formulation is designed based on plurality of parameters associated with the active molecule and the plurality of drug delivery routes. The designed vehicle associated with the formulation on an in-silico model of corresponding chosen drug delivery route is tested to obtain data associated with delivery of the active molecule. The data associated with delivery of the active molecule is reiteratively processed to obtain a desired data associated with the delivery of the active molecule.
10.2795840Puntuación de afinidad de unión con penalización para la rotura de la conjugación entre grupos de ligandos aromáticos
ES 24.11.2020
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 12789317 Applicant Schrodinger, LLC Inventor FRIESNER, Richard A.