IL321309A - Method and system to predict at least one physico-chemical and/or odor property value for a chemical structure or composition - Google Patents

Method and system to predict at least one physico-chemical and/or odor property value for a chemical structure or composition

Info

Publication number
IL321309A
IL321309A IL321309A IL32130925A IL321309A IL 321309 A IL321309 A IL 321309A IL 321309 A IL321309 A IL 321309A IL 32130925 A IL32130925 A IL 32130925A IL 321309 A IL321309 A IL 321309A
Authority
IL
Israel
Prior art keywords
chemical
physico
predict
composition
property value
Prior art date
Application number
IL321309A
Other languages
Hebrew (he)
Inventor
Guillaume Godin
Deursen Ruud Van
Julien Herzen
Florian Ravasi
Original Assignee
Firmenich & Cie
Guillaume Godin
Deursen Ruud Van
Julien Herzen
Florian Ravasi
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 Firmenich & Cie, Guillaume Godin, Deursen Ruud Van, Julien Herzen, Florian Ravasi filed Critical Firmenich & Cie
Publication of IL321309A publication Critical patent/IL321309A/en

Links

Classifications

    • GPHYSICS
    • G06COMPUTING OR CALCULATING; COUNTING
    • G06NCOMPUTING ARRANGEMENTS BASED ON SPECIFIC COMPUTATIONAL MODELS
    • G06N3/00Computing arrangements based on biological models
    • G06N3/02Neural networks
    • GPHYSICS
    • G06COMPUTING OR CALCULATING; COUNTING
    • G06NCOMPUTING ARRANGEMENTS BASED ON SPECIFIC COMPUTATIONAL MODELS
    • G06N3/00Computing arrangements based on biological models
    • G06N3/02Neural networks
    • G06N3/04Architecture, e.g. interconnection topology
    • G06N3/045Combinations of networks
    • GPHYSICS
    • G06COMPUTING OR CALCULATING; COUNTING
    • G06NCOMPUTING ARRANGEMENTS BASED ON SPECIFIC COMPUTATIONAL MODELS
    • G06N3/00Computing arrangements based on biological models
    • G06N3/02Neural networks
    • G06N3/04Architecture, e.g. interconnection topology
    • G06N3/048Activation functions
    • GPHYSICS
    • G06COMPUTING OR CALCULATING; COUNTING
    • G06NCOMPUTING ARRANGEMENTS BASED ON SPECIFIC COMPUTATIONAL MODELS
    • G06N3/00Computing arrangements based on biological models
    • G06N3/02Neural networks
    • G06N3/08Learning methods
    • GPHYSICS
    • G06COMPUTING OR CALCULATING; COUNTING
    • G06NCOMPUTING ARRANGEMENTS BASED ON SPECIFIC COMPUTATIONAL MODELS
    • G06N3/00Computing arrangements based on biological models
    • G06N3/02Neural networks
    • G06N3/08Learning methods
    • G06N3/084Backpropagation, e.g. using gradient descent
    • GPHYSICS
    • G06COMPUTING OR CALCULATING; COUNTING
    • G06NCOMPUTING ARRANGEMENTS BASED ON SPECIFIC COMPUTATIONAL MODELS
    • G06N3/00Computing arrangements based on biological models
    • G06N3/02Neural networks
    • G06N3/08Learning methods
    • G06N3/088Non-supervised learning, e.g. competitive learning
    • 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
    • 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

Landscapes

  • Engineering & Computer Science (AREA)
  • Theoretical Computer Science (AREA)
  • Physics & Mathematics (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • Computing Systems (AREA)
  • Evolutionary Computation (AREA)
  • General Health & Medical Sciences (AREA)
  • Software Systems (AREA)
  • Health & Medical Sciences (AREA)
  • Data Mining & Analysis (AREA)
  • Artificial Intelligence (AREA)
  • Biomedical Technology (AREA)
  • Mathematical Physics (AREA)
  • General Physics & Mathematics (AREA)
  • General Engineering & Computer Science (AREA)
  • Molecular Biology (AREA)
  • Computational Linguistics (AREA)
  • Biophysics (AREA)
  • Crystallography & Structural Chemistry (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • Chemical & Material Sciences (AREA)
  • Computer Vision & Pattern Recognition (AREA)
  • Databases & Information Systems (AREA)
  • Medical Informatics (AREA)
  • Management, Administration, Business Operations System, And Electronic Commerce (AREA)
IL321309A 2022-12-08 2025-06-04 Method and system to predict at least one physico-chemical and/or odor property value for a chemical structure or composition IL321309A (en)

Applications Claiming Priority (3)

Application Number Priority Date Filing Date Title
EP22212124 2022-12-08
EP22212196 2022-12-08
PCT/EP2023/084821 WO2024121356A1 (en) 2022-12-08 2023-12-08 Method and system to predict at least one physico-chemical and/or odor property value for a chemical structure or composition

Publications (1)

Publication Number Publication Date
IL321309A true IL321309A (en) 2025-08-01

Family

ID=89164472

Family Applications (1)

Application Number Title Priority Date Filing Date
IL321309A IL321309A (en) 2022-12-08 2025-06-04 Method and system to predict at least one physico-chemical and/or odor property value for a chemical structure or composition

Country Status (5)

Country Link
EP (1) EP4631052A1 (en)
JP (1) JP2026500214A (en)
CN (1) CN120641987A (en)
IL (1) IL321309A (en)
WO (1) WO2024121356A1 (en)

Families Citing this family (1)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
CN120405723B (en) * 2025-04-30 2025-10-21 四川九洲北斗导航与位置服务有限公司 Single Beidou satellite signal receiver high-precision positioning and orientation method and system based on deep learning

Also Published As

Publication number Publication date
JP2026500214A (en) 2026-01-06
EP4631052A1 (en) 2025-10-15
CN120641987A (en) 2025-09-12
WO2024121356A1 (en) 2024-06-13

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