JPWO2021251413A1 - - Google Patents

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Publication number
JPWO2021251413A1
JPWO2021251413A1 JP2022530594A JP2022530594A JPWO2021251413A1 JP WO2021251413 A1 JPWO2021251413 A1 JP WO2021251413A1 JP 2022530594 A JP2022530594 A JP 2022530594A JP 2022530594 A JP2022530594 A JP 2022530594A JP WO2021251413 A1 JPWO2021251413 A1 JP WO2021251413A1
Authority
JP
Japan
Legal status (The legal status 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 status listed.)
Pending
Application number
JP2022530594A
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 filed Critical
Publication of JPWO2021251413A1 publication Critical patent/JPWO2021251413A1/ja
Pending legal-status Critical Current

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Classifications

    • G—PHYSICS
    • G06—COMPUTING; CALCULATING OR COUNTING
    • G06F—ELECTRIC DIGITAL DATA PROCESSING
    • G06F17/00—Digital computing or data processing equipment or methods, specially adapted for specific functions
    • G06F17/10—Complex mathematical operations
    • G06F17/11—Complex mathematical operations for solving equations, e.g. nonlinear equations, general mathematical optimization problems
    • 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
    • G—PHYSICS
    • G06—COMPUTING; CALCULATING OR COUNTING
    • G06N—COMPUTING ARRANGEMENTS BASED ON SPECIFIC COMPUTATIONAL MODELS
    • G06N3/00—Computing arrangements based on biological models
    • G06N3/02—Neural networks
    • G06N3/04—Architecture, e.g. interconnection topology
    • G06N3/045—Combinations of networks
    • G06N3/0455—Auto-encoder networks; Encoder-decoder networks
    • G—PHYSICS
    • G06—COMPUTING; CALCULATING OR COUNTING
    • G06N—COMPUTING ARRANGEMENTS BASED ON SPECIFIC COMPUTATIONAL MODELS
    • G06N3/00—Computing arrangements based on biological models
    • G06N3/02—Neural networks
    • G06N3/04—Architecture, e.g. interconnection topology
    • G06N3/047—Probabilistic or stochastic networks
    • G—PHYSICS
    • G06—COMPUTING; CALCULATING OR COUNTING
    • G06N—COMPUTING ARRANGEMENTS BASED ON SPECIFIC COMPUTATIONAL MODELS
    • G06N3/00—Computing arrangements based on biological models
    • G06N3/02—Neural networks
    • G06N3/04—Architecture, e.g. interconnection topology
    • G06N3/0475—Generative networks
    • G—PHYSICS
    • G06—COMPUTING; CALCULATING OR COUNTING
    • G06N—COMPUTING ARRANGEMENTS BASED ON SPECIFIC COMPUTATIONAL MODELS
    • G06N3/00—Computing arrangements based on biological models
    • G06N3/02—Neural networks
    • G06N3/08—Learning methods
    • G06N3/094—Adversarial learning
    • G—PHYSICS
    • G06—COMPUTING; CALCULATING OR COUNTING
    • G06N—COMPUTING ARRANGEMENTS BASED ON SPECIFIC COMPUTATIONAL MODELS
    • G06N5/00—Computing arrangements using knowledge-based models
    • G06N5/01—Dynamic search techniques; Heuristics; Dynamic trees; Branch-and-bound
    • 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 or three-dimensional molecular structures, e.g. structural or functional relations or structure alignment
    • G—PHYSICS
    • G06—COMPUTING; CALCULATING OR COUNTING
    • G06N—COMPUTING ARRANGEMENTS BASED ON SPECIFIC COMPUTATIONAL MODELS
    • G06N3/00—Computing arrangements based on biological models
    • G06N3/004—Artificial life, i.e. computing arrangements simulating life
    • G06N3/006—Artificial life, i.e. computing arrangements simulating life based on simulated virtual individual or collective life forms, e.g. social simulations or particle swarm optimisation [PSO]
    • 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

Landscapes

  • Engineering & Computer Science (AREA)
  • Physics & Mathematics (AREA)
  • Theoretical Computer Science (AREA)
  • Mathematical Physics (AREA)
  • General Physics & Mathematics (AREA)
  • Data Mining & Analysis (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • Software Systems (AREA)
  • General Engineering & Computer Science (AREA)
  • Computing Systems (AREA)
  • Health & Medical Sciences (AREA)
  • General Health & Medical Sciences (AREA)
  • Artificial Intelligence (AREA)
  • Computational Linguistics (AREA)
  • Evolutionary Computation (AREA)
  • Biophysics (AREA)
  • Biomedical Technology (AREA)
  • Molecular Biology (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • Spectroscopy & Molecular Physics (AREA)
  • Chemical & Material Sciences (AREA)
  • Mathematical Optimization (AREA)
  • Pure & Applied Mathematics (AREA)
  • Mathematical Analysis (AREA)
  • Computational Mathematics (AREA)
  • Crystallography & Structural Chemistry (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Databases & Information Systems (AREA)
  • Algebra (AREA)
  • Operations Research (AREA)
  • Biotechnology (AREA)
  • Evolutionary Biology (AREA)
  • Medical Informatics (AREA)
  • Pharmacology & Pharmacy (AREA)
  • Medicinal Chemistry (AREA)
  • Probability & Statistics with Applications (AREA)
  • Management, Administration, Business Operations System, And Electronic Commerce (AREA)
JP2022530594A 2020-06-09 2021-06-09 Pending JPWO2021251413A1 (ja)

Applications Claiming Priority (2)

Application Number Priority Date Filing Date Title
JP2020100403 2020-06-09
PCT/JP2021/021850 WO2021251413A1 (ja) 2020-06-09 2021-06-09 推定装置、推定方法、化学構造式及びプログラム

Publications (1)

Publication Number Publication Date
JPWO2021251413A1 true JPWO2021251413A1 (ja) 2021-12-16

Family

ID=78845690

Family Applications (1)

Application Number Title Priority Date Filing Date
JP2022530594A Pending JPWO2021251413A1 (ja) 2020-06-09 2021-06-09

Country Status (3)

Country Link
US (1) US20230112275A1 (ja)
JP (1) JPWO2021251413A1 (ja)
WO (1) WO2021251413A1 (ja)

Families Citing this family (1)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
WO2024040195A1 (en) 2022-08-17 2024-02-22 Capstan Therapeutics, Inc. Conditioning for in vivo immune cell engineering

Family Cites Families (5)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
JP2001058962A (ja) * 1999-08-20 2001-03-06 Mitsubishi Chemicals Corp 分子構造開発支援システム及び分子構造開発支援方法、並びに、分子構造抽出装置，分子構造抽出方法及び分子構造抽出プログラムを格納したコンピュータ読取可能な記録媒体
EP1673607A4 (en) * 2003-10-14 2009-05-20 Verseon METHOD AND DEVICE FOR ANALYZING MOLECULAR CONFIGURATIONS AND COMBINATIONS
JP5946045B2 (ja) * 2012-08-27 2016-07-05 国立大学法人京都大学 化合物設計装置、化合物設計方法、及びコンピュータプログラム
JP6630640B2 (ja) * 2016-07-12 2020-01-15 株式会社日立製作所 材料創成装置、および材料創成方法
US10565347B2 (en) * 2018-03-29 2020-02-18 International Business Machines Corporation Global routing optimization

Also Published As

Publication number Publication date
WO2021251413A1 (ja) 2021-12-16
US20230112275A1 (en) 2023-04-13

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