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Analysis

1.WO/2020/212877TECHNIQUES FOR PREDICTING COLLISION CROSS-SECTION VALUES IN ION MOBILITY SPECTROMETRY
WO 22.10.2020
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/IB2020/053569 Applicant WATERS TECHNOLOGIES IRELAND LIMITED Inventor RICHARDSON, Keith G.
Techniques and apparatus for generated predicted collision cross-section (CCS) values based on a hybrid CCS prediction processes are described. In one embodiment, for example, an apparatus may include at least one memory, and logic coupled to the at least one memory. The logic may be configured to implement a predicted CCS process, for example, by receiving analytical information from analysis of a sample using an ion mobility spectrometry instrument, the sample comprising at least one component, generating an approximate molecular model for the component via an approximate molecular modeling process, and generating a predicted CCS value via a computational model based on the approximate molecular model. Other embodiments are described.
2.20200327349EXTENDED PARTICLE SWARM BAND SELECTION
US 15.10.2020
Int.Class G06K 9/20
GPHYSICS
06COMPUTING; CALCULATING OR COUNTING
KRECOGNITION OF DATA; PRESENTATION OF DATA; RECORD CARRIERS; HANDLING RECORD CARRIERS
9Methods or arrangements for reading or recognising printed or written characters or for recognising patterns, e.g. fingerprints
20Image acquisition
Appl.No 16791634 Applicant ChemImage Corporation Inventor Shashank R. DESHPANDE

The disclosure provides methods, systems, and computer program products for detecting compounds of interest that are deposited on or associated with objects of interest. The compounds of interest are not limited and include drugs, alcohol, cannabis, narcotics, controlled substances as defined by state, federal, or international law, ammonium-based explosives, MGE-based explosives, toxic compounds, organic compounds, inorganic compounds, nerve agents, or biological compounds. The disclosure increases the speed and efficiency of processing hyperspectral images, especially on low-power or portable devices.

3.20200327956METHODS OF SELECTION, REPORTING AND ANALYSIS OF GENETIC MARKERS USING BROAD-BASED GENETIC PROFILING APPLICATIONS
US 15.10.2020
Int.Class G16B 20/00
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
20ICT specially adapted for functional genomics or proteomics, e.g. genotype-phenotype associations
Appl.No 16738976 Applicant Fabric Genomics, Inc. Inventor Martin G. Reese

Disclosed is a method for determining whether an individual has an enhanced, diminished, or average probability of exhibiting one or more phenotypic attributes and related methods of selecting a set of genetic markers; for providing relevant genetic information to an individual; of evaluating the probability that progeny of two individuals of the opposite sex will exhibit one or more phenotypic attributes; and for determining the genomic ethnicity of an individual.

4.20200325174NOVEL IMMUNOTHERAPY AGAINST SEVERAL TUMORS OF THE BLOOD, IN PARTICULAR CHRONIC LYMPHOID LEUKEMIA (CLL)
US 15.10.2020
Int.Class C07K 7/06
CCHEMISTRY; METALLURGY
07ORGANIC CHEMISTRY
KPEPTIDES
7Peptides having 5 to 20 amino acids in a fully defined sequence; Derivatives thereof
04Linear peptides containing only normal peptide links
06having 5 to 11 amino acids
Appl.No 16911008 Applicant Immatics Biotechnologies GmbH Inventor Juliane WALZ

The present invention relates to peptides, nucleic acids and cells for use in immunotherapeutic methods. In particular, the present invention relates to the immunotherapy of cancer. The present invention furthermore relates to tumor-associated cytotoxic T cell (CTL) peptide epitopes, alone or in combination with other tumor-associated peptides that serve as active pharmaceutical ingredients of vaccine compositions that stimulate anti-tumor immune responses. The present invention relates to several novel peptide sequences and their variants derived from HLA class I and HLA class II molecules of human tumor cells that can be used in vaccine compositions for eliciting anti-tumor immune responses.

5.20200327963Latent Space Exploration Using Linear-Spherical Interpolation Region Method
US 15.10.2020
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 16445811 Applicant ACCENTURE GLOBAL SOLUTIONS LIMITED Inventor Qurrat Ul Ain

The disclosure enables latent space exploration of a dataset based on drug molecular-structure data and drug biological-treatment data for a set of drug compounds in order to determine optimal drug compounds for treating diseases. Regional interpolation, including a linear interpolation (LERP) operation and a non-linear interpolation operation such as a spherical linear interpolation (SLERP), along with quantitative structure-activity relationship (QSAR) models may be utilized to navigate through a latent space generated from a variational auto-encoder (VAE), in accordance with certain embodiments.

6.20200316552MODULAR SYSTEMS FOR PERFORMING MULTISTEP CHEMICAL REACTIONS, AND METHODS OF USING SAME
US 08.10.2020
Int.Class B01J 19/00
BPERFORMING OPERATIONS; TRANSPORTING
01PHYSICAL OR CHEMICAL PROCESSES OR APPARATUS IN GENERAL
JCHEMICAL OR PHYSICAL PROCESSES, e.g. CATALYSIS OR COLLOID CHEMISTRY; THEIR RELEVANT APPARATUS
19Chemical, physical or physico-chemical processes in general; Their relevant apparatus
Appl.No 16496834 Applicant SRI INTERNATIONAL Inventor Jin-Ping Lim

Disclosed are modular chemical reaction systems and methods of using such chemical reaction systems. The disclosed systems can have a substrate layer and a plurality of modules selectively mounted to an outer surface of the substrate layer. The substrate layer can include flow connectors that cooperate with the modules to form a fluid flow pathway for performing at least one step of a chemical reaction. At least one of the modules can be a process module, such as a reactor or separator. The modules can also include at least one regulator module. The system can also include at least one analysis device that analyzes at least one characteristic of the chemical reaction as the reaction occurs. The system can also include processing circuitry that monitors and/or optimizes the chemical reaction based on feedback received from the analysis device or other system components.

7.20200321081METHOD AND DEVICE FOR COMPUTING STABLE BINDING STRUCTURE AND COMPUTER-READABLE RECORDING MEDIUM RECORDING PROGRAM
US 08.10.2020
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 16905965 Applicant FUJITSU LIMITED Inventor Yoshiaki Tanida

A method includes searching for a stable binding structure between a target molecule and a drug candidate molecule using a dihedral angle formed by plane X formed by points A1, A2, and A3 and plane Y formed by the points A1 and A2 and point A4, in which the point A1 is a point determined by using an area where a heterocycle is existable on a surface of a binding site of the target molecule, the point A2 is a point representing the heterocycle, the point A3 is a point representing the binding site, and the point A4 is a point representing the drug candidate molecule, in a structural space in which the target molecule and the drug candidate molecule at the binding site of the target molecule are disposed when the stable binding structure between the target molecule and the drug candidate molecule is searched for using metadynamics.

8.20200321080METHOD AND SYSTEM FOR IN-SILICO OPTIMIZATION AND DESIGN OF ELECTROLYTES
US 08.10.2020
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 16834895 Applicant Tata Consultancy Services Limited Inventor Bharath RAVIKUMAR

Owing to complexity of the algorithms and tools very few attempts have been seen for usage of simulation methods in the development of new electrolytes. Moreover, the existing simulation methods focus on only one aspect of the electrolyte at a time and this limits accuracy of simulation results, and affects performance of electrolyte in real world, where multiple factors come into play simultaneously. The method disclosed provides method and system for in-silico optimization and design of electrolytes, enabling prediction of various properties of an electrolytic mixture of salts, solvents and various additives and its suitability for a given battery technology. The in-silico method shapes itself into an overall battery electrolyte property or component composition analyzer based on the user input.

9.20200321078SYSTEMS AND METHODS FOR VISUALIZING STRUCTURAL VARIATION AND PHASING INFORMATION
US 08.10.2020
Int.Class G16B 50/00
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
50ICT programming tools or database systems specially adapted for bioinformatics
Appl.No 16854754 Applicant 10X Genomics, Inc. Inventor Michael Schnall-Levin

A system for providing structural variation or phasing information is provided. The system accesses a nucleic acid sequence dataset corresponding to a target nucleic acid in a sample. The dataset comprises a header, synopsis, and data section. The data section comprises a plurality of sequencing reads. Each sequencing read comprises a first portion corresponding to a subset of the target nucleic acid and a second portion that encodes an identifier for the sequencing read from a plurality of identifiers. One or more programs in the memory of the system use a microprocessor of the system to provide a haplotype visualization tool that receives a request for structural variation or phasing information from the dataset. The request is evaluated against the synopsis thereby identifying portions of the data section. Structural variation or phasing information is formatted for display in the haplotype visualization tool using the identified portions of the data section.

10.WO/2020/203922CRYSTAL FORM PREDICTION DEVICE, CRYSTAL FORM PREDICTION METHOD, NEURAL NETWORK MODEL PRODUCTION METHOD, AND PROGRAM
WO 08.10.2020
Int.Class G06N 3/02
GPHYSICS
06COMPUTING; CALCULATING OR COUNTING
NCOMPUTER SYSTEMS BASED ON SPECIFIC COMPUTATIONAL MODELS
3Computer systems based on biological models
02using neural network models
Appl.No PCT/JP2020/014371 Applicant X-ABILITY CO., LTD. Inventor NAGASHIRO Shinji
The present invention determines, by a first-principle calculation, energy information items with respect to respective selected crystal structure candidates selected from among a plurality of crystal structure candidates and then performs machine learning by using, from among structural description information items representing the respective selective crystal structure candidates, structural description information items corresponding to the selected crystal structure candidates as input information items and by using the energy information items related to the selected crystal structure candidates as teacher information items, to thereby estimate an energy information item corresponding to a structural description information item. In this crystal form prediction device, results of the machine learning obtained by this machine learning means are applied to a process for estimating energy information that corresponds to a crystal structure specified by structure description information.