MA51864A - Méthodes d'identification de composés - Google Patents

Méthodes d'identification de composés

Info

Publication number
MA51864A
MA51864A MA051864A MA51864A MA51864A MA 51864 A MA51864 A MA 51864A MA 051864 A MA051864 A MA 051864A MA 51864 A MA51864 A MA 51864A MA 51864 A MA51864 A MA 51864A
Authority
MA
Morocco
Prior art keywords
identification
compounds
methods
Prior art date
Application number
MA051864A
Other languages
English (en)
Inventor
Dennis Joseph Moccia
Christopher James Mulhern
Eric Alan Sigel
Ling Xue
Original Assignee
X Chem Inc
Priority date (The priority date is an assumption and is not a legal conclusion. Google has not performed a legal analysis and makes no representation as to the accuracy of the date listed.)
Filing date
Publication date
Application filed by X Chem Inc filed Critical X Chem Inc
Publication of MA51864A publication Critical patent/MA51864A/fr

Links

Classifications

    • C—CHEMISTRY; METALLURGY
    • C12—BIOCHEMISTRY; BEER; SPIRITS; WINE; VINEGAR; MICROBIOLOGY; ENZYMOLOGY; MUTATION OR GENETIC ENGINEERING
    • C12N—MICROORGANISMS OR ENZYMES; COMPOSITIONS THEREOF; PROPAGATING, PRESERVING, OR MAINTAINING MICROORGANISMS; MUTATION OR GENETIC ENGINEERING; CULTURE MEDIA
    • C12N15/00—Mutation or genetic engineering; DNA or RNA concerning genetic engineering, vectors, e.g. plasmids, or their isolation, preparation or purification; Use of hosts therefor
    • C12N15/09—Recombinant DNA-technology
    • C12N15/10—Processes for the isolation, preparation or purification of DNA or RNA
    • C12N15/1034—Isolating an individual clone by screening libraries
    • C12N15/1089—Design, preparation, screening or analysis of libraries using computer algorithms
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16B—BIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
    • G16B15/00—ICT specially adapted for analysing two-dimensional [2D] or three-dimensional [3D] molecular structures, e.g. structural or functional relations or structure alignment
    • G16B15/30—Drug targeting using structural data; Docking or binding prediction
    • C—CHEMISTRY; METALLURGY
    • C40—COMBINATORIAL TECHNOLOGY
    • C40B—COMBINATORIAL CHEMISTRY; LIBRARIES, e.g. CHEMICAL LIBRARIES
    • C40B40/00—Libraries per se, e.g. arrays, mixtures
    • C40B40/04—Libraries containing only organic compounds
    • C40B40/10—Libraries containing peptides or polypeptides, or derivatives thereof
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16B—BIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
    • G16B20/00—ICT specially adapted for functional genomics or proteomics, e.g. genotype-phenotype associations
    • G16B20/30—Detection of binding sites or motifs
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16B—BIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
    • G16B50/00—ICT programming tools or database systems specially adapted for bioinformatics
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C20/00—Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
    • G16C20/60—In silico combinatorial chemistry
    • G16C20/64—Screening of libraries
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C20/00—Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
    • G16C20/70—Machine learning, data mining or chemometrics
    • C—CHEMISTRY; METALLURGY
    • C12—BIOCHEMISTRY; BEER; SPIRITS; WINE; VINEGAR; MICROBIOLOGY; ENZYMOLOGY; MUTATION OR GENETIC ENGINEERING
    • C12Q—MEASURING 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
    • C12Q2563/00—Nucleic acid detection characterized by the use of physical, structural and functional properties
    • C12Q2563/179—Nucleic acid detection characterized by the use of physical, structural and functional properties the label being a nucleic acid
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C20/00—Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
    • G16C20/50—Molecular design, e.g. of drugs

Landscapes

  • Engineering & Computer Science (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • Health & Medical Sciences (AREA)
  • Chemical & Material Sciences (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • Physics & Mathematics (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Biotechnology (AREA)
  • General Health & Medical Sciences (AREA)
  • Spectroscopy & Molecular Physics (AREA)
  • Theoretical Computer Science (AREA)
  • Biophysics (AREA)
  • Medical Informatics (AREA)
  • Genetics & Genomics (AREA)
  • Organic Chemistry (AREA)
  • Crystallography & Structural Chemistry (AREA)
  • Evolutionary Biology (AREA)
  • Medicinal Chemistry (AREA)
  • Molecular Biology (AREA)
  • General Engineering & Computer Science (AREA)
  • Zoology (AREA)
  • Biochemistry (AREA)
  • Wood Science & Technology (AREA)
  • Biomedical Technology (AREA)
  • Analytical Chemistry (AREA)
  • Pharmacology & Pharmacy (AREA)
  • Databases & Information Systems (AREA)
  • Computing Systems (AREA)
  • Proteomics, Peptides & Aminoacids (AREA)
  • General Chemical & Material Sciences (AREA)
  • Chemical Kinetics & Catalysis (AREA)
  • Bioethics (AREA)
  • Plant Pathology (AREA)
  • Microbiology (AREA)
  • Software Systems (AREA)
  • Data Mining & Analysis (AREA)
  • Evolutionary Computation (AREA)
  • Computer Vision & Pattern Recognition (AREA)
  • Artificial Intelligence (AREA)
  • Library & Information Science (AREA)
MA051864A 2017-04-18 2018-04-18 Méthodes d'identification de composés MA51864A (fr)

Applications Claiming Priority (1)

Application Number Priority Date Filing Date Title
US201762486692P 2017-04-18 2017-04-18

Publications (1)

Publication Number Publication Date
MA51864A true MA51864A (fr) 2020-02-26

Family

ID=63856100

Family Applications (1)

Application Number Title Priority Date Filing Date
MA051864A MA51864A (fr) 2017-04-18 2018-04-18 Méthodes d'identification de composés

Country Status (8)

Country Link
US (1) US20200143903A1 (fr)
EP (1) EP3612545A4 (fr)
JP (2) JP7277378B2 (fr)
CN (1) CN110730822B (fr)
AU (3) AU2018256367A1 (fr)
EA (1) EA201992476A1 (fr)
MA (1) MA51864A (fr)
WO (1) WO2018195134A1 (fr)

Families Citing this family (9)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
CN112218877B (zh) 2018-08-27 2025-07-25 瑞泽恩制药公司 拉曼光谱在下游纯化中的应用
US20200395099A1 (en) * 2019-06-12 2020-12-17 Quantum-Si Incorporated Techniques for protein identification using machine learning and related systems and methods
US12135927B2 (en) * 2020-03-31 2024-11-05 International Business Machines Corporation Expert-in-the-loop AI for materials discovery
US12347530B2 (en) 2020-03-31 2025-07-01 International Business Machines Corporation Expert-in-the-loop AI for materials generation
CN111863120B (zh) * 2020-06-28 2022-05-13 深圳晶泰科技有限公司 晶体复合物的药物虚拟筛选系统及方法
CN112086145B (zh) * 2020-09-02 2024-04-16 腾讯科技（深圳）有限公司 一种化合物活性预测方法、装置、电子设备和存储介质
US20250232093A1 (en) * 2021-10-21 2025-07-17 Google Llc Multi-label neural architecture for modeling dna-encoded libraries data
WO2023239720A1 (fr) * 2022-06-06 2023-12-14 The Trustees Of Indiana University Procédé de prédiction de spectres ms/ms et de propriétés de composés chimiques
WO2024118605A1 (fr) * 2022-11-29 2024-06-06 Insitro, Inc. Modélisation activée par amarrage moléculaire de bibliothèques codées par adn

Family Cites Families (8)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
JP2001503546A (ja) * 1996-11-04 2001-03-13 ３―ディメンショナル ファーマシューティカルズ インコーポレイテッド 化学データの可視化、並びに対話式に処理および分析するためのシステム、方法、およびコンピュータプログラム製品
US20040010376A1 (en) * 2001-04-17 2004-01-15 Peizhi Luo Generation and selection of protein library in silico
CA2485732A1 (fr) * 2002-05-20 2003-12-04 Abmaxis, Inc. Production et selection d'une banque de proteines dans de la silice
WO2006078228A1 (fr) * 2002-09-16 2006-07-27 Plexxikon, Inc. Procedes de conception d'echafaudages moleculaires et de ligands
CA2879018A1 (fr) * 2012-07-13 2014-01-16 X-Chem, Inc. Banques encodees par l'adn possedant des liaisons oligonucleotidiques codantes ne pouvant etre lues par les polymerases
JP6518656B2 (ja) * 2013-06-13 2019-05-22 バイオデシー， インコーポレイテッド 標的生体実体を標的にする生化学実体候補をスクリーニングする方法
MA41298A (fr) * 2014-12-30 2017-11-07 X Chem Inc Procédés de marquage de banques codées par de l'adn
TW201629069A (zh) * 2015-01-09 2016-08-16 霍普驅動生物科技股份有限公司 參與協同結合之化合物及其用途

Also Published As

Publication number Publication date
BR112019021786A2 (pt) 2020-05-05
JP7277378B2 (ja) 2023-05-18
EA201992476A1 (ru) 2020-02-25
AU2018256367A1 (en) 2019-11-28
WO2018195134A1 (fr) 2018-10-25
CN110730822B (zh) 2024-03-08
US20200143903A1 (en) 2020-05-07
EP3612545A1 (fr) 2020-02-26
EP3612545A4 (fr) 2021-01-13
CN110730822A (zh) 2020-01-24
JP2020518898A (ja) 2020-06-25
AU2026201008A1 (en) 2026-03-05
JP2023113620A (ja) 2023-08-16
AU2023206117A1 (en) 2023-08-10

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