SG11202102308VA - System and method for predicting quality of a chemical compound and/or of a formulation thereof as a product of a production process - Google Patents

System and method for predicting quality of a chemical compound and/or of a formulation thereof as a product of a production process

Info

Publication number
SG11202102308VA
SG11202102308VA SG11202102308VA SG11202102308VA SG11202102308VA SG 11202102308V A SG11202102308V A SG 11202102308VA SG 11202102308V A SG11202102308V A SG 11202102308VA SG 11202102308V A SG11202102308V A SG 11202102308VA SG 11202102308V A SG11202102308V A SG 11202102308VA
Authority
SG
Singapore
Prior art keywords
formulation
product
production process
chemical compound
predicting quality
Prior art date
Application number
SG11202102308VA
Inventor
Thomas Mrziglod
Lynn Würth
Tom Maes
Kai Wellner
Stephan Tosch
Christian Bock
Original Assignee
Bayer Ag
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 Bayer Ag filed Critical Bayer Ag
Publication of SG11202102308VA publication Critical patent/SG11202102308VA/en

Links

Classifications

    • 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
    • G16C20/20Identification of molecular entities, parts thereof or of chemical compositions
    • 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
    • G16C20/30Prediction of properties of chemical compounds, compositions or mixtures
    • GPHYSICS
    • G05CONTROLLING; REGULATING
    • G05BCONTROL OR REGULATING SYSTEMS IN GENERAL; FUNCTIONAL ELEMENTS OF SUCH SYSTEMS; MONITORING OR TESTING ARRANGEMENTS FOR SUCH SYSTEMS OR ELEMENTS
    • G05B13/00Adaptive control systems, i.e. systems automatically adjusting themselves to have a performance which is optimum according to some preassigned criterion
    • G05B13/02Adaptive control systems, i.e. systems automatically adjusting themselves to have a performance which is optimum according to some preassigned criterion electric
    • G05B13/04Adaptive control systems, i.e. systems automatically adjusting themselves to have a performance which is optimum according to some preassigned criterion electric involving the use of models or simulators
    • G05B13/048Adaptive control systems, i.e. systems automatically adjusting themselves to have a performance which is optimum according to some preassigned criterion electric involving the use of models or simulators using a predictor
    • GPHYSICS
    • G06COMPUTING; CALCULATING OR COUNTING
    • G06FELECTRIC DIGITAL DATA PROCESSING
    • G06F30/00Computer-aided design [CAD]
    • G06F30/20Design optimisation, verification or simulation
    • G06F30/27Design optimisation, verification or simulation using machine learning, e.g. artificial intelligence, neural networks, support vector machines [SVM] or training a model
    • 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
    • G16C20/10Analysis or design of chemical reactions, syntheses or processes
    • 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
    • G16C20/60In silico combinatorial chemistry
    • 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
    • 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
    • G16C20/90Programming languages; Computing architectures; Database systems; Data warehousing

Landscapes

  • Engineering & Computer Science (AREA)
  • Chemical & Material Sciences (AREA)
  • Theoretical Computer Science (AREA)
  • Computing Systems (AREA)
  • Crystallography & Structural Chemistry (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Software Systems (AREA)
  • Evolutionary Computation (AREA)
  • Physics & Mathematics (AREA)
  • Health & Medical Sciences (AREA)
  • Artificial Intelligence (AREA)
  • Computer Vision & Pattern Recognition (AREA)
  • Medical Informatics (AREA)
  • General Health & Medical Sciences (AREA)
  • Databases & Information Systems (AREA)
  • Chemical Kinetics & Catalysis (AREA)
  • Analytical Chemistry (AREA)
  • General Physics & Mathematics (AREA)
  • Data Mining & Analysis (AREA)
  • Spectroscopy & Molecular Physics (AREA)
  • Medicinal Chemistry (AREA)
  • Geometry (AREA)
  • General Engineering & Computer Science (AREA)
  • Computer Hardware Design (AREA)
  • Automation & Control Theory (AREA)
  • General Factory Administration (AREA)
  • Testing And Monitoring For Control Systems (AREA)
  • Management, Administration, Business Operations System, And Electronic Commerce (AREA)
  • Investigating Or Analyzing Non-Biological Materials By The Use Of Chemical Means (AREA)
SG11202102308VA 2018-09-18 2019-09-17 System and method for predicting quality of a chemical compound and/or of a formulation thereof as a product of a production process SG11202102308VA (en)

Applications Claiming Priority (2)

Application Number Priority Date Filing Date Title
EP18195266 2018-09-18
PCT/EP2019/074792 WO2020058237A2 (en) 2018-09-18 2019-09-17 System and method for predicting quality of a chemical compound and/or of a formulation thereof as a product of a production process

Publications (1)

Publication Number Publication Date
SG11202102308VA true SG11202102308VA (en) 2021-04-29

Family

ID=63794281

Family Applications (1)

Application Number Title Priority Date Filing Date
SG11202102308VA SG11202102308VA (en) 2018-09-18 2019-09-17 System and method for predicting quality of a chemical compound and/or of a formulation thereof as a product of a production process

Country Status (11)

Country Link
US (1) US20220068440A1 (en)
EP (1) EP3853858A2 (en)
JP (1) JP2022500778A (en)
KR (1) KR20210060467A (en)
CN (1) CN112714935A (en)
AU (1) AU2019344557A1 (en)
BR (1) BR112021003828A2 (en)
CA (1) CA3112860A1 (en)
IL (1) IL281435A (en)
SG (1) SG11202102308VA (en)
WO (1) WO2020058237A2 (en)

Families Citing this family (12)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US20220001586A1 (en) * 2018-11-16 2022-01-06 Covestro Intellectual Property Gmbh & Co. Kg Method and system for improving a physical production process
JP7446771B2 (en) * 2019-10-30 2024-03-11 株式会社東芝 Visualization data generation device, visualization data generation system, and visualization data generation method
WO2022248935A1 (en) * 2021-05-27 2022-12-01 Lynceus Sas Machine learning-based quality control of a culture for bioproduction
EP4347784A1 (en) * 2021-05-27 2024-04-10 Lynceus SAS Machine learning-based quality control of a culture for bioproduction
CN117461000A (en) 2021-06-07 2024-01-26 巴斯夫欧洲公司 Monitoring and/or controlling a facility via a machine learning regressor
JP2023000828A (en) * 2021-06-18 2023-01-04 富士フイルム株式会社 Information processing device, information processing method and program
EP4113223A1 (en) * 2021-06-29 2023-01-04 Bull Sas Method for optimising a process to produce a biochemical product
CN117836730A (en) * 2021-08-06 2024-04-05 巴斯夫欧洲公司 Method for monitoring and/or controlling a chemical plant using a hybrid model
WO2023099320A1 (en) * 2021-11-30 2023-06-08 Technische Universität Darmstadt Identifying parameter modifications to enable industrial processes to become more tolerant to changes in the availability and composition of materials
WO2024049725A1 (en) * 2022-08-29 2024-03-07 Amgen Inc. Predictive model to evaluate processing time impacts
KR102649791B1 (en) * 2023-01-31 2024-03-21 주식회사 인이지 Electronic device for realizing a polymer quality prediction and control system and control method thereof
CN116798534B (en) * 2023-08-28 2023-11-07 山东鲁扬新材料科技有限公司 Data acquisition and processing method for acetic acid propionic acid rectification process

Family Cites Families (1)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
CN106462656B (en) * 2013-12-27 2020-05-29 豪夫迈·罗氏有限公司 Method and system for preparing synthetic multi-component biotechnological and chemical process samples

Also Published As

Publication number Publication date
IL281435A (en) 2021-04-29
AU2019344557A1 (en) 2021-04-01
JP2022500778A (en) 2022-01-04
BR112021003828A2 (en) 2021-05-18
EP3853858A2 (en) 2021-07-28
WO2020058237A3 (en) 2020-07-16
US20220068440A1 (en) 2022-03-03
CN112714935A (en) 2021-04-27
WO2020058237A2 (en) 2020-03-26
KR20210060467A (en) 2021-05-26
CA3112860A1 (en) 2020-03-26

Similar Documents

Publication Publication Date Title
IL281435A (en) System and method for predicting quality of a chemical compound and/or of a formulation thereof as a product of a production process
EP3621810A4 (en) Method and system for quality assurance and control of additive manufacturing process
EP3618980A4 (en) Methods and systems for improved quality inspection of products using a robot
EP3221264A4 (en) Process and apparatus for manufacture of calcined compounds for the production of calcined products
EP3814478A4 (en) Method and apparatus for continuous production of sophorolipids
IL266325B1 (en) Method and apparatus for measuring a parameter of a lithographic process, computer program products for implementing such methods and apparatus
EP3601418C0 (en) Process for production of covered panel
EP3680226A4 (en) Method for decomposing by-product of phenol production process
EP3315827A4 (en) Process for production of gaskets
EP3616526A4 (en) Method for manufacturing process cheese
EP3795277A4 (en) Production method and production apparatus for additive manufacturing product, and program
EP3538253A4 (en) Apparatus and method of forming a chemical solution
EP3628655A4 (en) Method for decomposing byproduct of phenol production process
GB2587931B (en) Apparatus, system, and method for high speed production of food product
EP3647428A4 (en) Production method and production device for chemical product by continuous fermentation
AU2018302199A1 (en) Method for determining stress levels in a material of a process engineering apparatus
SG11202007168TA (en) Industrial process for continuously synthesizing alkane-sulphonic acid
EP3710564A4 (en) Process and apparatus for stripping slurry hydrocracked product
EP3854492A4 (en) Apparatus for cleaning component of semiconductor production apparatus, method for cleaning component of semiconductor production apparatus, and system for cleaning component of semiconductor production apparatus
SG11202011065YA (en) Chemical product production system
EP3577122A4 (en) Apparatus and continuous flow process for production of boronic acid derivative
HUE060475T2 (en) Process for the production of isocyanates
EP3529783A4 (en) System and method for integrating production process
EP4188937A4 (en) Process for production of ascarylose and related compounds
EP3584563A4 (en) Method for evaluating quality of water-vapor-treated product