JP2021174401A5 - - Google Patents

Download PDF

Info

Publication number
JP2021174401A5
JP2021174401A5 JP2020079790A JP2020079790A JP2021174401A5 JP 2021174401 A5 JP2021174401 A5 JP 2021174401A5 JP 2020079790 A JP2020079790 A JP 2020079790A JP 2020079790 A JP2020079790 A JP 2020079790A JP 2021174401 A5 JP2021174401 A5 JP 2021174401A5
Authority
JP
Japan
Prior art keywords
physical property
compound
encoder
values
vector
Prior art date
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.)
Granted
Application number
JP2020079790A
Other languages
English (en)
Japanese (ja)
Other versions
JP7390250B2 (ja
JP2021174401A (ja
Filing date
Publication date
Application filed filed Critical
Priority to JP2020079790A priority Critical patent/JP7390250B2/ja
Priority claimed from JP2020079790A external-priority patent/JP7390250B2/ja
Priority to EP21796144.0A priority patent/EP4145453A4/en
Priority to PCT/JP2021/015042 priority patent/WO2021220774A1/ja
Priority to US17/919,804 priority patent/US12406752B2/en
Publication of JP2021174401A publication Critical patent/JP2021174401A/ja
Publication of JP2021174401A5 publication Critical patent/JP2021174401A5/ja
Application granted granted Critical
Publication of JP7390250B2 publication Critical patent/JP7390250B2/ja
Active legal-status Critical Current
Anticipated expiration legal-status Critical

Links

JP2020079790A 2020-04-28 2020-04-28 化合物構造表現を生成するシステム Active JP7390250B2 (ja)

Priority Applications (4)

Application Number Priority Date Filing Date Title
JP2020079790A JP7390250B2 (ja) 2020-04-28 2020-04-28 化合物構造表現を生成するシステム
EP21796144.0A EP4145453A4 (en) 2020-04-28 2021-04-09 SYSTEM FOR GENERATING A COMPOSITE STRUCTURE REPRESENTATION
PCT/JP2021/015042 WO2021220774A1 (ja) 2020-04-28 2021-04-09 化合物構造表現を生成するシステム
US17/919,804 US12406752B2 (en) 2020-04-28 2021-04-09 System for generating compound structure representation

Applications Claiming Priority (1)

Application Number Priority Date Filing Date Title
JP2020079790A JP7390250B2 (ja) 2020-04-28 2020-04-28 化合物構造表現を生成するシステム

Publications (3)

Publication Number Publication Date
JP2021174401A JP2021174401A (ja) 2021-11-01
JP2021174401A5 true JP2021174401A5 (enExample) 2022-11-15
JP7390250B2 JP7390250B2 (ja) 2023-12-01

Family

ID=78279918

Family Applications (1)

Application Number Title Priority Date Filing Date
JP2020079790A Active JP7390250B2 (ja) 2020-04-28 2020-04-28 化合物構造表現を生成するシステム

Country Status (4)

Country Link
US (1) US12406752B2 (enExample)
EP (1) EP4145453A4 (enExample)
JP (1) JP7390250B2 (enExample)
WO (1) WO2021220774A1 (enExample)

Families Citing this family (6)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
JP7088399B1 (ja) * 2021-12-17 2022-06-21 Dic株式会社 ノボラック型フェノール樹脂の探索方法、情報処理装置、及びプログラム
EP4394780A1 (en) * 2022-12-27 2024-07-03 Basf Se Methods and apparatuses for generating a digital representation of chemical substances, measuring physicochemical properties and generating control data for synthesizing chemical substances
WO2023198927A1 (en) * 2022-04-14 2023-10-19 Basf Se Methods and apparatuses for characterizing chemical substances, measuring physicochemical properties and generating control data for synthesizing chemical substances
JP7547423B2 (ja) 2022-09-02 2024-09-09 キヤノン株式会社 情報処理装置、情報処理方法およびプログラム
WO2025088437A1 (ja) * 2023-10-24 2025-05-01 株式会社半導体エネルギー研究所 分子構造の生成方法
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

Family Cites Families (12)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US5566083A (en) * 1994-10-18 1996-10-15 The Research Foundation Of State University Of New York Method for analyzing voltage fluctuations in multilayered electronic packaging structures
EP1167969A2 (en) * 2000-06-14 2002-01-02 Pfizer Inc. Method and system for predicting pharmacokinetic properties
US7487078B1 (en) * 2002-12-20 2009-02-03 Cadence Design Systems, Inc. Method and system for modeling distributed time invariant systems
US8374827B2 (en) * 2006-09-12 2013-02-12 Osaka University Numerical simulation apparatus for time dependent schrödinger equation
US8706427B2 (en) * 2010-02-26 2014-04-22 The Board Of Trustees Of The Leland Stanford Junior University Method for rapidly approximating similarities
US8886497B1 (en) * 2010-07-19 2014-11-11 Terje Graham Vold Computer simulation of electromagnetic fields
FR2982050B1 (fr) * 2011-11-01 2014-06-20 Nantes Ecole Centrale Procede et dispositif pour la simulation en temps reel de systemes et de processus complexes
EP3339846B1 (en) * 2016-12-22 2020-12-09 Malvern Panalytical B.V. Method of measuring properties of a thin film stack
JP6829385B2 (ja) * 2017-02-22 2021-02-10 富士通株式会社 磁性材料シミュレーションプログラム、磁性材料シミュレーション方法および磁性材料シミュレーション装置
JP2020009203A (ja) * 2018-07-09 2020-01-16 学校法人関西学院 人工化合物データを用いた化合物特性予測の深層学習方法および装置、並びに、化合物特性予測方法および装置
US11417415B2 (en) 2018-08-10 2022-08-16 International Business Machines Corporation Molecular representation
JP7403149B2 (ja) 2018-11-12 2023-12-22 学校法人近畿大学 配管磁化方法、配管磁化装置、配管検査方法及び配管検査装置

Similar Documents

Publication Publication Date Title
JP2021174401A5 (enExample)
Bianconi Higher-order networks
Krishna et al. Fact, fetch, and reason: A unified evaluation of retrieval-augmented generation
Liu et al. Scene classification based on two-stage deep feature fusion
Sin et al. Vega: non‐linear FEM deformable object simulator
Fonseca The Sym2Int program: going from symmetries to interactions
JPWO2019241422A5 (enExample)
JP2012530963A5 (enExample)
CN109062902B (zh) 一种文本语义表达方法及装置
Grigorchuk et al. Self-similarity and branching in group theory
CN107256228A (zh) 基于结构化注意力机制的答案选择系统及方法
CN110196928B (zh) 完全并行化具有领域扩展性的端到端多轮对话系统及方法
CN110334196B (zh) 基于笔画和自注意力机制的神经网络中文问题生成系统
Shi et al. Prompt space optimizing few-shot reasoning success with large language models
Manca et al. Statistical mechanics of holonomic systems as a Brownian motion on smooth manifolds
Cho et al. Position coupling: Improving length generalization of arithmetic transformers using task structure
Makmal et al. Quantum walks on embedded hypercubes
Staudt et al. Generating scaled replicas of real-world complex networks
Liu et al. Diversifying the mixture-of-experts representation for language models with orthogonal optimizer
Hajibagheri et al. Social networks community detection using the shapley value
CN110532291B (zh) 基于最小执行代价的深度学习框架间模型转换方法及系统
CN109472023B (zh) 一种基于实体及文本联合嵌入的实体关联度衡量方法、系统及存储介质
Rohr Discrete-time leap method for stochastic simulation
JP2022033237A5 (enExample)
Zardi et al. A multi-agent homophily-based approach for community detection in social networks