HK1193197A1 - 學習預測複合物對標靶的影響 - Google Patents

學習預測複合物對標靶的影響

Info

Publication number
HK1193197A1
HK1193197A1 HK14106626.3A HK14106626A HK1193197A1 HK 1193197 A1 HK1193197 A1 HK 1193197A1 HK 14106626 A HK14106626 A HK 14106626A HK 1193197 A1 HK1193197 A1 HK 1193197A1
Authority
HK
Hong Kong
Prior art keywords
targets
learning
compounds
predict effects
predict
Prior art date
Application number
HK14106626.3A
Other languages
English (en)
Inventor
阿馬格汗．
．奈克
喬舒亞．
．坎加斯
克里斯托弗．
．蘭米德
羅伯特．
．墨菲
Original Assignee
卡內基．梅隆大學
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 卡內基．梅隆大學 filed Critical 卡內基．梅隆大學
Publication of HK1193197A1 publication Critical patent/HK1193197A1/zh

Links

Classifications

    • 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
    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N33/00—Investigating or analysing materials by specific methods not covered by groups G01N1/00 - G01N31/00
    • G01N33/48—Biological material, e.g. blood, urine; Haemocytometers
    • 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
    • G16B40/00—ICT specially adapted for biostatistics; ICT specially adapted for bioinformatics-related machine learning or data mining, e.g. knowledge discovery or pattern finding
    • G16B40/20—Supervised data analysis
    • 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
    • G16B40/00—ICT specially adapted for biostatistics; ICT specially adapted for bioinformatics-related machine learning or data mining, e.g. knowledge discovery or pattern finding
    • G16B40/30—Unsupervised data analysis
    • 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
    • G16C20/30—Prediction of properties of chemical compounds, compositions or mixtures
    • 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
    • G16B40/00—ICT specially adapted for biostatistics; ICT specially adapted for bioinformatics-related machine learning or data mining, e.g. knowledge discovery or pattern finding

Landscapes

  • Engineering & Computer Science (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • Health & Medical Sciences (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Theoretical Computer Science (AREA)
  • Chemical & Material Sciences (AREA)
  • Data Mining & Analysis (AREA)
  • Medical Informatics (AREA)
  • General Health & Medical Sciences (AREA)
  • Physics & Mathematics (AREA)
  • Computing Systems (AREA)
  • Crystallography & Structural Chemistry (AREA)
  • Computer Vision & Pattern Recognition (AREA)
  • Evolutionary Computation (AREA)
  • Databases & Information Systems (AREA)
  • Software Systems (AREA)
  • Artificial Intelligence (AREA)
  • Epidemiology (AREA)
  • Biophysics (AREA)
  • Bioethics (AREA)
  • Public Health (AREA)
  • Biotechnology (AREA)
  • Evolutionary Biology (AREA)
  • Spectroscopy & Molecular Physics (AREA)
  • Food Science & Technology (AREA)
  • Biochemistry (AREA)
  • Molecular Biology (AREA)
  • Urology & Nephrology (AREA)
  • Biomedical Technology (AREA)
  • Medicinal Chemistry (AREA)
  • Analytical Chemistry (AREA)
  • Hematology (AREA)
  • General Physics & Mathematics (AREA)
  • Immunology (AREA)
  • Pathology (AREA)
  • Measuring Or Testing Involving Enzymes Or Micro-Organisms (AREA)
  • Medical Treatment And Welfare Office Work (AREA)
  • Management, Administration, Business Operations System, And Electronic Commerce (AREA)
  • Feedback Control In General (AREA)
HK14106626.3A 2011-02-14 2014-07-01 學習預測複合物對標靶的影響 HK1193197A1 (zh)

Applications Claiming Priority (4)

Application Number Priority Date Filing Date Title
US201161463206P 2011-02-14 2011-02-14
US201161463589P 2011-02-18 2011-02-18
US201161463593P 2011-02-18 2011-02-18
PCT/US2012/025029 WO2012112534A2 (en) 2011-02-14 2012-02-14 Learning to predict effects of compounds on targets

Publications (1)

Publication Number Publication Date
HK1193197A1 true HK1193197A1 (zh) 2014-09-12

Family

ID=46673119

Family Applications (1)

Application Number Title Priority Date Filing Date
HK14106626.3A HK1193197A1 (zh) 2011-02-14 2014-07-01 學習預測複合物對標靶的影響

Country Status (7)

Country Link
US (2) US20140052428A1 (zh)
EP (1) EP2676215A4 (zh)
JP (1) JP6133789B2 (zh)
CN (1) CN103493057B (zh)
CA (1) CA2826894A1 (zh)
HK (1) HK1193197A1 (zh)
WO (1) WO2012112534A2 (zh)

Families Citing this family (4)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
GB201805296D0 (en) * 2018-03-29 2018-05-16 Benevolentai Tech Limited Shortlist Selection Model For Active Learning
JP2020198003A (ja) * 2019-06-04 2020-12-10 ジャパンモード株式会社 生成物推定プログラム及びシステム
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
GB2600154A (en) * 2020-10-23 2022-04-27 Exscientia Ltd Drug optimisation by active learning

Family Cites Families (13)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US5463564A (en) * 1994-09-16 1995-10-31 3-Dimensional Pharmaceuticals, Inc. System and method of automatically generating chemical compounds with desired properties
US6904423B1 (en) * 1999-02-19 2005-06-07 Bioreason, Inc. Method and system for artificial intelligence directed lead discovery through multi-domain clustering
WO2000049539A1 (en) * 1999-02-19 2000-08-24 Bioreason, Inc. Method and system for artificial intelligence directed lead discovery through multi-domain clustering
US20050089923A9 (en) * 2000-01-07 2005-04-28 Levinson Douglas A. Method and system for planning, performing, and assessing high-throughput screening of multicomponent chemical compositions and solid forms of compounds
EP1307597A2 (en) * 2000-08-11 2003-05-07 Dofasco Inc. Desulphurization reagent control method and system
US6768982B1 (en) * 2000-09-06 2004-07-27 Cellomics, Inc. Method and system for creating and using knowledge patterns
US20040199334A1 (en) * 2001-04-06 2004-10-07 Istvan Kovesdi Method for generating a quantitative structure property activity relationship
WO2002093297A2 (en) * 2001-05-11 2002-11-21 Transform Pharmaceuticals, Inc. Methods for high-throughput screening and computer modelling of pharmaceutical compounds
WO2003072065A2 (en) * 2002-02-28 2003-09-04 Iconix Pharmaceuticals, Inc. Drug signatures
DE10216558A1 (de) * 2002-04-15 2003-10-30 Bayer Ag Verfahren und Computersystem zur Planung von Versuchen
US8185230B2 (en) * 2002-08-22 2012-05-22 Advanced Micro Devices, Inc. Method and apparatus for predicting device electrical parameters during fabrication
US7505886B1 (en) * 2002-09-03 2009-03-17 Hewlett-Packard Development Company, L.P. Technique for programmatically obtaining experimental measurements for model construction
US7305369B2 (en) * 2003-03-10 2007-12-04 Cranian Technologies, Inc Method and apparatus for producing three dimensional shapes

Also Published As

Publication number Publication date
WO2012112534A2 (en) 2012-08-23
JP2014511148A (ja) 2014-05-12
EP2676215A2 (en) 2013-12-25
US20140052428A1 (en) 2014-02-20
EP2676215A4 (en) 2018-01-24
CN103493057B (zh) 2016-06-01
CN103493057A (zh) 2014-01-01
JP6133789B2 (ja) 2017-05-24
WO2012112534A3 (en) 2013-02-28
CA2826894A1 (en) 2012-08-23
US20200043575A1 (en) 2020-02-06

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