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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

    • CCHEMISTRY; METALLURGY
    • C12BIOCHEMISTRY; BEER; SPIRITS; WINE; VINEGAR; MICROBIOLOGY; ENZYMOLOGY; MUTATION OR GENETIC ENGINEERING
    • C12NMICROORGANISMS OR ENZYMES; COMPOSITIONS THEREOF; PROPAGATING, PRESERVING, OR MAINTAINING MICROORGANISMS; MUTATION OR GENETIC ENGINEERING; CULTURE MEDIA
    • C12N15/00Mutation or genetic engineering; DNA or RNA concerning genetic engineering, vectors, e.g. plasmids, or their isolation, preparation or purification; Use of hosts therefor
    • C12N15/09Recombinant DNA-technology
    • C12N15/10Processes for the isolation, preparation or purification of DNA or RNA
    • C12N15/1034Isolating an individual clone by screening libraries
    • C12N15/1089Design, preparation, screening or analysis of libraries using computer algorithms
    • GPHYSICS
    • G16INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16BBIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
    • G16B15/00ICT specially adapted for analysing two-dimensional or three-dimensional molecular structures, e.g. structural or functional relations or structure alignment
    • G16B15/30Drug targeting using structural data; Docking or binding prediction
    • CCHEMISTRY; METALLURGY
    • C40COMBINATORIAL TECHNOLOGY
    • C40BCOMBINATORIAL CHEMISTRY; LIBRARIES, e.g. CHEMICAL LIBRARIES
    • C40B40/00Libraries per se, e.g. arrays, mixtures
    • C40B40/04Libraries containing only organic compounds
    • C40B40/10Libraries containing peptides or polypeptides, or derivatives thereof
    • GPHYSICS
    • G16INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16BBIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
    • G16B20/00ICT specially adapted for functional genomics or proteomics, e.g. genotype-phenotype associations
    • G16B20/30Detection of binding sites or motifs
    • GPHYSICS
    • G16INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16BBIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
    • G16B50/00ICT programming tools or database systems specially adapted for bioinformatics
    • GPHYSICS
    • G16INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16CCOMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C20/00Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
    • G16C20/60In silico combinatorial chemistry
    • G16C20/64Screening of libraries
    • GPHYSICS
    • G16INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16CCOMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C20/00Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
    • G16C20/70Machine learning, data mining or chemometrics
    • CCHEMISTRY; METALLURGY
    • C12BIOCHEMISTRY; BEER; SPIRITS; WINE; VINEGAR; MICROBIOLOGY; ENZYMOLOGY; MUTATION OR GENETIC ENGINEERING
    • C12QMEASURING 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
    • C12Q2563/00Nucleic acid detection characterized by the use of physical, structural and functional properties
    • C12Q2563/179Nucleic acid detection characterized by the use of physical, structural and functional properties the label being a nucleic acid
    • GPHYSICS
    • G16INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16CCOMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C20/00Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
    • G16C20/50Molecular 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)
  • Organic Chemistry (AREA)
  • Genetics & Genomics (AREA)
  • Crystallography & Structural Chemistry (AREA)
  • Evolutionary Biology (AREA)
  • Medicinal Chemistry (AREA)
  • General Engineering & Computer Science (AREA)
  • Molecular Biology (AREA)
  • Biomedical Technology (AREA)
  • Analytical Chemistry (AREA)
  • Zoology (AREA)
  • Wood Science & Technology (AREA)
  • Biochemistry (AREA)
  • Pharmacology & Pharmacy (AREA)
  • Databases & Information Systems (AREA)
  • Computing Systems (AREA)
  • Chemical Kinetics & Catalysis (AREA)
  • Proteomics, Peptides & Aminoacids (AREA)
  • Plant Pathology (AREA)
  • Bioethics (AREA)
  • General Chemical & Material Sciences (AREA)
  • Microbiology (AREA)
  • Computer Vision & Pattern Recognition (AREA)
  • Data Mining & Analysis (AREA)
  • Artificial Intelligence (AREA)
  • Library & Information Science (AREA)
  • Evolutionary Computation (AREA)
  • Software Systems (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 (2) 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
JP2021535739A (ja) 2018-08-27 2021-12-23 リジェネロン・ファーマシューティカルズ・インコーポレイテッド 下流精製でのラマン分光法の使用
CN115989545A (zh) * 2019-06-12 2023-04-18 宽腾矽公司 使用机器学习和相关系统和方法进行蛋白质识别的技术
US12347530B2 (en) 2020-03-31 2025-07-01 International Business Machines Corporation Expert-in-the-loop AI for materials generation
US12135927B2 (en) * 2020-03-31 2024-11-05 International Business Machines Corporation Expert-in-the-loop AI for materials discovery
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
US20240177012A1 (en) * 2022-11-29 2024-05-30 Insitro, Inc. Molecular Docking-Enabled Modeling of DNA-Encoded Libraries

Family Cites Families (8)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
CA2270527A1 (fr) * 1996-11-04 1998-05-14 3-Dimensional Pharmaceuticals, Inc. Systeme, procede et produit programme informatique pour visualiser, traiter et analyser de facon interactive des donnees chimiques
US20040010376A1 (en) * 2001-04-17 2004-01-15 Peizhi Luo Generation and selection of protein library in silico
SG135053A1 (en) * 2002-05-20 2007-09-28 Abmaxis Inc Generation and selection of protein library in silico
WO2006078228A1 (fr) * 2002-09-16 2006-07-27 Plexxikon, Inc. Procedes de conception d'echafaudages moleculaires et de ligands
EA201992285A1 (ru) * 2012-07-13 2020-05-31 Икс-Чем, Инк. Днк-кодированные библиотеки, содержащие связи кодирующих олигонуклеотидов, не доступные для считывания полимеразами
EP3008465B1 (fr) * 2013-06-13 2019-08-07 Biodesy, Inc. Procédé de criblage d'entités biochimiques candidates ciblant une entité biochimique cible
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
US20200143903A1 (en) 2020-05-07
AU2018256367A1 (en) 2019-11-28
EP3612545A4 (fr) 2021-01-13
JP7277378B2 (ja) 2023-05-18
EA201992476A1 (ru) 2020-02-25
BR112019021786A2 (pt) 2020-05-05
EP3612545A1 (fr) 2020-02-26
WO2018195134A1 (fr) 2018-10-25
CN110730822B (zh) 2024-03-08
AU2023206117A1 (en) 2023-08-10
JP2020518898A (ja) 2020-06-25
JP2023113620A (ja) 2023-08-16
CN110730822A (zh) 2020-01-24

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