GB2600687A - Computational drug target selection - Google Patents

Computational drug target selection Download PDF

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Publication number
GB2600687A
GB2600687A GB2017177.3A GB202017177A GB2600687A GB 2600687 A GB2600687 A GB 2600687A GB 202017177 A GB202017177 A GB 202017177A GB 2600687 A GB2600687 A GB 2600687A
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United Kingdom
Prior art keywords
publication
documents
drug
data
target
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Withdrawn
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GB2017177.3A
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English (en)
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GB202017177D0 (en
Inventor
James Crowther Daniel
Narganes-Carlon David
Serrano-Najera Guillermo
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Exscientia Ltd
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Exscientia Ltd
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Priority to GB2017177.3A priority Critical patent/GB2600687A/en
Publication of GB202017177D0 publication Critical patent/GB202017177D0/en
Priority to PCT/GB2021/052813 priority patent/WO2022096861A2/en
Priority to KR1020237017962A priority patent/KR20230128266A/ko
Priority to CN202180074273.9A priority patent/CN116508017A/zh
Priority to JP2023550727A priority patent/JP2023547964A/ja
Priority to EP21884122.9A priority patent/EP4238097A2/en
Publication of GB2600687A publication Critical patent/GB2600687A/en
Priority to US18/138,705 priority patent/US20230352193A1/en
Withdrawn legal-status Critical Current

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    • G06FELECTRIC DIGITAL DATA PROCESSING
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    • G06F16/30Information retrieval; Database structures therefor; File system structures therefor of unstructured textual data
    • G06F16/35Clustering; Classification
    • G06F16/353Clustering; Classification into predefined classes
    • GPHYSICS
    • G06COMPUTING OR CALCULATING; COUNTING
    • G06FELECTRIC DIGITAL DATA PROCESSING
    • G06F16/00Information retrieval; Database structures therefor; File system structures therefor
    • G06F16/90Details of database functions independent of the retrieved data types
    • G06F16/93Document management systems
    • GPHYSICS
    • G06COMPUTING OR CALCULATING; COUNTING
    • G06NCOMPUTING ARRANGEMENTS BASED ON SPECIFIC COMPUTATIONAL MODELS
    • G06N3/00Computing arrangements based on biological models
    • G06N3/02Neural networks
    • G06N3/04Architecture, e.g. interconnection topology
    • G06N3/044Recurrent networks, e.g. Hopfield networks
    • GPHYSICS
    • G06COMPUTING OR CALCULATING; COUNTING
    • G06NCOMPUTING ARRANGEMENTS BASED ON SPECIFIC COMPUTATIONAL MODELS
    • G06N3/00Computing arrangements based on biological models
    • G06N3/02Neural networks
    • G06N3/04Architecture, e.g. interconnection topology
    • G06N3/044Recurrent networks, e.g. Hopfield networks
    • G06N3/0442Recurrent networks, e.g. Hopfield networks characterised by memory or gating, e.g. long short-term memory [LSTM] or gated recurrent units [GRU]
    • GPHYSICS
    • G06COMPUTING OR CALCULATING; COUNTING
    • G06NCOMPUTING ARRANGEMENTS BASED ON SPECIFIC COMPUTATIONAL MODELS
    • G06N3/00Computing arrangements based on biological models
    • G06N3/02Neural networks
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    • G06N3/045Combinations of networks
    • G06N3/0455Auto-encoder networks; Encoder-decoder networks
    • GPHYSICS
    • G06COMPUTING OR CALCULATING; COUNTING
    • G06NCOMPUTING ARRANGEMENTS BASED ON SPECIFIC COMPUTATIONAL MODELS
    • G06N3/00Computing arrangements based on biological models
    • G06N3/02Neural networks
    • G06N3/08Learning methods
    • G06N3/088Non-supervised learning, e.g. competitive learning
    • GPHYSICS
    • G06COMPUTING OR CALCULATING; COUNTING
    • G06NCOMPUTING ARRANGEMENTS BASED ON SPECIFIC COMPUTATIONAL MODELS
    • G06N3/00Computing arrangements based on biological models
    • G06N3/02Neural networks
    • G06N3/08Learning methods
    • G06N3/0895Weakly supervised learning, e.g. semi-supervised or self-supervised learning
    • GPHYSICS
    • G06COMPUTING OR CALCULATING; COUNTING
    • G06NCOMPUTING ARRANGEMENTS BASED ON SPECIFIC COMPUTATIONAL MODELS
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    • G06N3/09Supervised learning
    • GPHYSICS
    • G06COMPUTING OR CALCULATING; COUNTING
    • G06NCOMPUTING ARRANGEMENTS BASED ON SPECIFIC COMPUTATIONAL MODELS
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    • G06N3/08Learning methods
    • G06N3/091Active learning
    • 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
    • G16B40/00ICT specially adapted for biostatistics; ICT specially adapted for bioinformatics-related machine learning or data mining, e.g. knowledge discovery or pattern finding
    • 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
    • G16B40/00ICT specially adapted for biostatistics; ICT specially adapted for bioinformatics-related machine learning or data mining, e.g. knowledge discovery or pattern finding
    • G16B40/20Supervised data analysis
    • 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
    • GPHYSICS
    • G16INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16HHEALTHCARE INFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR THE HANDLING OR PROCESSING OF MEDICAL OR HEALTHCARE DATA
    • G16H70/00ICT specially adapted for the handling or processing of medical references
    • G16H70/20ICT specially adapted for the handling or processing of medical references relating to practices or guidelines
    • GPHYSICS
    • G16INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16HHEALTHCARE INFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR THE HANDLING OR PROCESSING OF MEDICAL OR HEALTHCARE DATA
    • G16H70/00ICT specially adapted for the handling or processing of medical references
    • G16H70/40ICT specially adapted for the handling or processing of medical references relating to drugs, e.g. their side effects or intended usage
    • GPHYSICS
    • G06COMPUTING OR CALCULATING; COUNTING
    • G06FELECTRIC DIGITAL DATA PROCESSING
    • G06F16/00Information retrieval; Database structures therefor; File system structures therefor
    • G06F16/30Information retrieval; Database structures therefor; File system structures therefor of unstructured textual data
    • G06F16/33Querying
    • G06F16/332Query formulation
    • G06F16/3325Reformulation based on results of preceding query
    • G06F16/3326Reformulation based on results of preceding query using relevance feedback from the user, e.g. relevance feedback on documents, documents sets, document terms or passages
    • GPHYSICS
    • G06COMPUTING OR CALCULATING; COUNTING
    • G06FELECTRIC DIGITAL DATA PROCESSING
    • G06F16/00Information retrieval; Database structures therefor; File system structures therefor
    • G06F16/30Information retrieval; Database structures therefor; File system structures therefor of unstructured textual data
    • G06F16/35Clustering; Classification
    • G06F16/355Creation or modification of classes or clusters
    • GPHYSICS
    • G06COMPUTING OR CALCULATING; COUNTING
    • G06FELECTRIC DIGITAL DATA PROCESSING
    • G06F16/00Information retrieval; Database structures therefor; File system structures therefor
    • G06F16/30Information retrieval; Database structures therefor; File system structures therefor of unstructured textual data
    • G06F16/38Retrieval characterised by using metadata, e.g. metadata not derived from the content or metadata generated manually
    • G06F16/382Retrieval characterised by using metadata, e.g. metadata not derived from the content or metadata generated manually using citations
    • GPHYSICS
    • G06COMPUTING OR CALCULATING; COUNTING
    • G06NCOMPUTING ARRANGEMENTS BASED ON SPECIFIC COMPUTATIONAL MODELS
    • G06N20/00Machine learning
    • G06N20/10Machine learning using kernel methods, e.g. support vector machines [SVM]
    • GPHYSICS
    • G06COMPUTING OR CALCULATING; COUNTING
    • G06NCOMPUTING ARRANGEMENTS BASED ON SPECIFIC COMPUTATIONAL MODELS
    • G06N20/00Machine learning
    • G06N20/20Ensemble learning
    • GPHYSICS
    • G06COMPUTING OR CALCULATING; COUNTING
    • G06NCOMPUTING ARRANGEMENTS BASED ON SPECIFIC COMPUTATIONAL MODELS
    • G06N3/00Computing arrangements based on biological models
    • G06N3/02Neural networks
    • G06N3/04Architecture, e.g. interconnection topology
    • G06N3/045Combinations of networks

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  • Engineering & Computer Science (AREA)
  • Theoretical Computer Science (AREA)
  • Physics & Mathematics (AREA)
  • Health & Medical Sciences (AREA)
  • Data Mining & Analysis (AREA)
  • General Health & Medical Sciences (AREA)
  • General Engineering & Computer Science (AREA)
  • General Physics & Mathematics (AREA)
  • Artificial Intelligence (AREA)
  • Software Systems (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • Evolutionary Computation (AREA)
  • Medical Informatics (AREA)
  • Databases & Information Systems (AREA)
  • Mathematical Physics (AREA)
  • Computing Systems (AREA)
  • Computational Linguistics (AREA)
  • Biophysics (AREA)
  • Biomedical Technology (AREA)
  • Molecular Biology (AREA)
  • Epidemiology (AREA)
  • Public Health (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • Computer Vision & Pattern Recognition (AREA)
  • Chemical & Material Sciences (AREA)
  • Primary Health Care (AREA)
  • Bioethics (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Toxicology (AREA)
  • Medicinal Chemistry (AREA)
  • Pharmacology & Pharmacy (AREA)
  • Spectroscopy & Molecular Physics (AREA)
  • Evolutionary Biology (AREA)
  • Biotechnology (AREA)
  • Crystallography & Structural Chemistry (AREA)
  • Audiology, Speech & Language Pathology (AREA)
  • Business, Economics & Management (AREA)
  • General Business, Economics & Management (AREA)
  • Library & Information Science (AREA)
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GB2017177.3A 2020-10-29 2020-10-29 Computational drug target selection Withdrawn GB2600687A (en)

Priority Applications (7)

Application Number Priority Date Filing Date Title
GB2017177.3A GB2600687A (en) 2020-10-29 2020-10-29 Computational drug target selection
PCT/GB2021/052813 WO2022096861A2 (en) 2020-10-29 2021-10-29 Computational drug target selection
KR1020237017962A KR20230128266A (ko) 2020-10-29 2021-10-29 컴퓨터를 이용한 약물 표적 선택
CN202180074273.9A CN116508017A (zh) 2020-10-29 2021-10-29 计算药物靶标选择
JP2023550727A JP2023547964A (ja) 2020-10-29 2021-10-29 コンピュータによる薬剤標的の選択
EP21884122.9A EP4238097A2 (en) 2020-10-29 2021-10-29 Computational drug target selection
US18/138,705 US20230352193A1 (en) 2020-10-29 2023-04-24 Computational Drug Target Selection

Applications Claiming Priority (1)

Application Number Priority Date Filing Date Title
GB2017177.3A GB2600687A (en) 2020-10-29 2020-10-29 Computational drug target selection

Publications (2)

Publication Number Publication Date
GB202017177D0 GB202017177D0 (en) 2020-12-16
GB2600687A true GB2600687A (en) 2022-05-11

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GB2017177.3A Withdrawn GB2600687A (en) 2020-10-29 2020-10-29 Computational drug target selection

Country Status (7)

Country Link
US (1) US20230352193A1 (https=)
EP (1) EP4238097A2 (https=)
JP (1) JP2023547964A (https=)
KR (1) KR20230128266A (https=)
CN (1) CN116508017A (https=)
GB (1) GB2600687A (https=)
WO (1) WO2022096861A2 (https=)

Families Citing this family (2)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
GB202304213D0 (en) 2023-03-23 2023-05-10 Exscientia Ai Ltd Computational drug target selection
KR20250045561A (ko) 2023-09-25 2025-04-02 주식회사 엘지에너지솔루션 충전 관리 장치 및 그것의 동작 방법

Family Cites Families (6)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
JP5347878B2 (ja) * 2009-09-29 2013-11-20 富士通株式会社 文献間関係解析装置、該プログラム、及び該方法
US10592541B2 (en) * 2015-05-29 2020-03-17 Intel Corporation Technologies for dynamic automated content discovery
CN109074420B (zh) * 2016-05-12 2022-03-08 豪夫迈·罗氏有限公司 用于预测靶向药物治疗疾病的效果的系统
CN108427702B (zh) * 2017-10-23 2021-02-09 平安科技(深圳)有限公司 目标文档获取方法及应用服务器
JP7237574B2 (ja) * 2018-12-27 2023-03-13 オムロンヘルスケア株式会社 血圧測定装置
US11721441B2 (en) * 2019-01-15 2023-08-08 Merative Us L.P. Determining drug effectiveness ranking for a patient using machine learning

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* Cited by examiner, † Cited by third party
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Publication number Publication date
GB202017177D0 (en) 2020-12-16
JP2023547964A (ja) 2023-11-14
US20230352193A1 (en) 2023-11-02
KR20230128266A (ko) 2023-09-04
CN116508017A (zh) 2023-07-28
WO2022096861A3 (en) 2022-08-25
EP4238097A2 (en) 2023-09-06
WO2022096861A2 (en) 2022-05-12

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