JP7201981B2 - 予測装置、予測方法および予測プログラム - Google Patents

予測装置、予測方法および予測プログラム Download PDF

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JP7201981B2
JP7201981B2 JP2018122565A JP2018122565A JP7201981B2 JP 7201981 B2 JP7201981 B2 JP 7201981B2 JP 2018122565 A JP2018122565 A JP 2018122565A JP 2018122565 A JP2018122565 A JP 2018122565A JP 7201981 B2 JP7201981 B2 JP 7201981B2
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JP2019010095A (ja
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芳広 植沢
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Meiji Pharmaceutical University
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Priority to PCT/JP2018/024835 priority patent/WO2019004437A1/ja
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    • 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
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    • G—PHYSICS
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    • G06N3/00—Computing arrangements based on biological models
    • G06N3/02—Neural networks
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    • G06N3/09—Supervised learning
    • 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
    • G16C20/80—Data visualisation
    • 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

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JP2018122565A 2017-06-30 2018-06-28 予測装置、予測方法および予測プログラム Active JP7201981B2 (ja)

Priority Applications (4)

Application Number Priority Date Filing Date Title
EP18824219.2A EP3627404B1 (en) 2017-06-30 2018-06-29 Chemical compound activity predicting device, predicting method and program
CN201880044194.1A CN110809800B (zh) 2017-06-30 2018-06-29 预测装置、预测方法、预测程序、学习模型输入数据生成装置和学习模型输入数据生成程序
PCT/JP2018/024835 WO2019004437A1 (ja) 2017-06-30 2018-06-29 予測装置、予測方法、予測プログラム、学習モデル入力データ生成装置および学習モデル入力データ生成プログラム
US16/698,129 US12394504B2 (en) 2017-06-30 2019-11-27 Predicting device, predicting method, predicting program, learning model input data generating device, and learning model input data generating program

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JP2017129823 2017-06-30

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JP2019010095A5 JP2019010095A5 (enExample) 2021-07-29
JP7201981B2 true JP7201981B2 (ja) 2023-01-11

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JP7218274B2 (ja) * 2019-11-05 2023-02-06 株式会社 ディー・エヌ・エー 化合物の性質を予測するための化合物性質予測装置、化合物性質予測プログラム及び化合物性質予測方法
US20220350620A1 (en) * 2021-04-30 2022-11-03 Zebra Technologies Corporation Industrial ethernet configuration tool with preview capabilities
US12159395B2 (en) * 2021-11-17 2024-12-03 Ford Global Technologies, Llc System and method for identifying and analyzing desired properties of a material
JP7392208B1 (ja) * 2022-03-10 2023-12-05 日本碍子株式会社 材料創出を支援するシステム及び方法、プログラム
CN115274002B (zh) * 2022-06-13 2023-05-23 中国科学院广州地球化学研究所 一种基于机器学习的化合物持久性筛查方法
CN115219197A (zh) * 2022-07-09 2022-10-21 西安邮电大学 一种轴承故障智能诊断方法、系统、介质、设备及终端
WO2025028333A1 (ja) * 2023-07-28 2025-02-06 富士フイルム株式会社 情報処理装置、情報処理装置の作動方法、および情報処理装置の作動プログラム
US12368503B2 (en) 2023-12-27 2025-07-22 Quantum Generative Materials Llc Intent-based satellite transmit management based on preexisting historical location and machine learning

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AU2002308118A1 (en) * 2001-04-06 2002-10-21 Axxima Pharmaceuticals Ag Method for generating a quantitative structure property activity relationship
US20040009536A1 (en) 2001-07-30 2004-01-15 George Grass System and method for predicting adme/tox characteristics of a compound
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US12394504B2 (en) 2025-08-19
EP3627404A4 (en) 2020-07-22
JP2019010095A (ja) 2019-01-24
CN110809800A (zh) 2020-02-18
CN110809800B (zh) 2024-01-02
EP3627404A1 (en) 2020-03-25
EP3627404B1 (en) 2021-08-18
US20200098450A1 (en) 2020-03-26

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