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Analysis

1.WO/2020/138588DATA PROCESSING DEVICE AND METHOD FOR DISCOVERING NEW DRUG CANDIDATE MATERIAL
WO 02.07.2020
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 PCT/KR2019/002918 Applicant MEDIRITA Inventor PAE, Young Woo
A data processing method for discovering a new drug candidate material by a data processing device according to an embodiment of the present invention comprises the steps of: receiving a predetermined search word; extracting at least one biological entity related to the predetermined search word from a big data database (DB); extracting the correlation between the predetermined search word and the at least one biological entity; building a first knowledge network in which a plurality of nodes, comprising the predetermined search word and the at least one biological entity, are connected in accordance with the correlation; calculating a graph theory indicator of the first knowledge network; and building a second knowledge network by means of some nodes extracted from the plurality of nodes by means of the graph theory indicator.
2.WO/2020/138590DATA PROCESSING APPARATUS AND METHOD FOR PREDICTING EFFECTIVENESS AND SAFETY OF NEW DRUG CANDIDATE SUBSTANCES
WO 02.07.2020
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 PCT/KR2019/002920 Applicant MEDIRITA Inventor PAE, Young Woo
A data processing method for discovering new drug candidate substances in a data processing apparatus according to one embodiment of the present invention comprises the steps of: receiving a predetermined search word input through a user interface unit; extracting a plurality of druggable paths related to the predetermined search word and a druggable path (DP) index for each of the druggable paths by using an artificial neural network (ANN) model; selecting some druggable paths having high DP indexes, among the plurality of druggable paths; extracting absorption, distribution, metabolism, excretion, and toxicity (ADMET) information of the druggable paths by using an ADMET model; and outputting ADMET information and a DP index for each of the some druggable paths.
3.WO/2020/138589APPARATUS AND METHOD FOR PROCESSING MULTI-OMICS DATA FOR DISCOVERING NEW-DRUG CANDIDATE MATERIAL
WO 02.07.2020
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/KR2019/002919 Applicant MEDIRITA Inventor PAE, Young Woo
A method for processing data for discovering a new-drug candidate material according to an embodiment of the present invention comprises the steps of: receiving input, via a user interface, of at least some omics levels among a plurality of omics levels constituting omics; receiving, via the user interface, at least some mutual relationship types among a plurality of mutual relationship types constituting the omics; selecting a DB related to the at least some omics levels and a DB related to the at least some mutual relationship types from among omics DBs including data per omics level and data per mutual relationship type; generating a first matrix consisting of the DB related to the at least some omics levels and the DB related to the at least some mutual relationship types; receiving input of a predetermined search word via the user interface; extracting a plurality of biological entities related to the predetermined search word and a mutual relationship between the plurality of biological entities from among the DB related to the at least some omics levels and the DB related to the at least some mutual relationship types; and generating a multi-omics network by connecting a plurality of nodes including the plurality of biological entities according to the mutual relationship between the plurality of biological entities.
4.3672496SURGICAL DECISION SUPPORT USING A DECISION THEORETIC MODEL
EP 01.07.2020
Int.Class A61B 17/00
AHUMAN NECESSITIES
61MEDICAL OR VETERINARY SCIENCE; HYGIENE
BDIAGNOSIS; SURGERY; IDENTIFICATION
17Surgical instruments, devices or methods, e.g. tourniquets
Appl.No 18847909 Applicant MASSACHUSETTS GEN HOSPITAL Inventor RUS DANIELA
A surgical procedure on a patient is monitored at a sensor to provide an observation. A current surgical state is estimated as a belief state over of a plurality of surgical states, representing different phases of the surgery, from the observation and an observation function for each surgical state. A world state of a plurality of world states representing a state of one of the patient, a medical professional performing the surgical procedure, and the environment in which the surgical procedure is being conducted is estimated from the estimated surgical state. From the estimated surgical state, the estimated world state, and a model, at least one surgical state that will be entered during the surgical procedure is predicted and an output representing the predicted at least one surgical state is provided at an associated output device.
5.20200202983SIMULATION METHOD, SIMULATION APPARATUS, AND PROGRAM
US 25.06.2020
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 16677970 Applicant SUMITOMO HEAVY INDUSTRIES, LTD. Inventor Yuya Matsumura

Simulation is performed by using a molecular dynamics method in which a flow field having an inflow/outflow interface is used as an analysis region, and a fluid in the flow field is set as an aggregate of a plurality of particles. An analysis model is defined in which the inflow/outflow interface is divided into plural partitions, a heat bath is coupled to the inflow/outflow interface, and a particle is allowed to move between the heat bath and the analysis region. A relationship between an in-face position of the inflow/outflow interface and a pressure target value is acquired. The heat bath is divided into plural heat bath cells in correspondence with the plural partitions, and a pressure in a heat bath cell is controlled on the basis of the pressure target value in a corresponding partition in a case where a state of the particle is temporally developed.

6.WO/2020/125812MOLECULAR FINGERPRINT AND DEEP LEARNING BASED VIRTUAL HIGH-THROUGHPUT DRUG SCREENING SYSTEM
WO 25.06.2020
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 PCT/CN2020/072584 Applicant GUANGDONG INSTITUTE OF MICROBIOLOGY (GUANGDONG DETECTION CENTER OF MICROBIOLOGY) Inventor XIE, Liwei
A molecular fingerprint and deep learning based virtual high-throughput drug screening system, comprising an online deep learning model modeling sub-system and an online virtual screening sub-system. Combining molecular fingerprints and deep neural network methods, establishing a virtual high-throughput drug screening system, said system having screening databases of different structures embedded inside, and implementing online automatic establishment of deep learning modeling and virtual screening. The system operates smoothly, is easy to use, and can help people working in the fields of medicine and chemistry on drug discovery quickly screen for targets and obtain potential active compounds, thereby accelerating drug discovery.
7.20200194102MODEL FOR HIGH-THROUGHPUT SCREENING OF ENDOCRINE DISRUPTOR AND METHOD FOR SCREENING SAME
US 18.06.2020
Int.Class G16C 20/40
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
40Searching chemical structures or physicochemical data
Appl.No 16714745 Applicant Nanjing University Inventor Wei Shi

The present invention provides a model for high-throughput screening of endocrine disruptors and a method for screening the same. In the present invention, primary structural alerts, secondary structural alerts and tertiary structural alerts of compounds are extracted according to a nuclear receptor, and then the primary structural alerts, the secondary structural alerts and the tertiary structural alerts form a nuclear receptor high-throughput screening model; hierarchical structural alert matching is carried out on target compounds through the nuclear receptor high-throughput screening model, and ligand-receptor binding mode analysis and semi-quantitative prediction of binding activity and disrupting activity are performed. According to the present invention, the defect in prior art that potential nuclear receptor-mediated endocrine disruptors cannot be effectively screened in high throughput is overcome, high-throughput screening of potential nuclear receptor-mediated endocrine disruptors can be performed, and receptor competitive activity and A-Anta activity of the nuclear receptor-mediated endocrine disruptors can be determined.

8.WO/2020/120386A METHOD TO DETERMINE AGENTS FOR PERSONALIZED USE
WO 18.06.2020
Int.Class G16B 99/00
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
99Subject matter not provided for in other groups of this subclass
Appl.No PCT/EP2019/084195 Applicant EFFERTH, Thomas Inventor EFFERTH, Thomas
The present invention relates to a method for identifying one or more compounds specifically binding to a target structure of a given diseased tissue in an individual, said method comprises the determination of the binding affinity of a number of compounds to the one or more docking spaces of a mutated gene identified in the individual and identifying one or more compounds specifically binding to the mutated protein. Further, the present invention relates to a computer program comprising instructions which cause the computer to carry out several steps of the method.
9.WO/2020/120996ASSAY ANALYSIS
WO 18.06.2020
Int.Class G01N 33/543
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
53Immunoassay; Biospecific binding assay; Materials therefor
543with an insoluble carrier for immobilising immunochemicals
Appl.No PCT/GB2019/053566 Applicant AEIRTEC LTD Inventor KILFEATHER, Stephen
A method for determining the amount of an analyte in a sample is provided, the method including the steps of detecting signals resulting from reaction of captured analyte with detection molecules, applying a mathematical transformation function to the signal results, and using a computer to mathematically model a biphasic standard curve of analyte concentration vs transformed detected signal using an equation. A method for modelling calibration data, a computer programmed to mathematically model a biphasic standard curve of analyte concentration vs transformed detected signal, and a kit of parts for determining the amount of an analyte in a sample is also provided.
10.3665693AUTOMATED CLINICAL DOCUMENTATION SYSTEM AND METHOD
EP 17.06.2020
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 18843255 Applicant NUANCE COMMUNICATIONS INC Inventor OWEN DONALD E
A method, computer program product, and computing system for synchronizing machine vision and audio is executed on a computing device and includes obtaining encounter information of a patient encounter, wherein the encounter information includes machine vision encounter information and audio encounter information. The machine vision encounter information and the audio encounter information are temporally-aligned to produce a temporarily-aligned encounter recording.