|
G16C 10/00
|
Computational theoretical chemistry, i.e. ICT specially adapted for theoretical aspects of quantum chemistry, molecular mechanics, molecular dynamics or the like |
|
G16C 20/00
|
Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures |
|
G16C 20/10
|
Analysis or design of chemical reactions, syntheses or processes |
|
G16C 20/20
|
Identification of molecular entities, parts thereof or of chemical compositions |
|
G16C 20/30
|
Prediction of properties of chemical compounds, compositions or mixtures |
|
G16C 20/40
|
Searching chemical structures or physicochemical data |
|
G16C 20/50
|
Molecular design, e.g. of drugs |
|
G16C 20/60
|
In silico combinatorial chemistry |
|
G16C 20/62
|
Design of libraries |
|
G16C 20/64
|
Screening of libraries |
|
G16C 20/70
|
Machine learning, data mining or chemometrics |
|
G16C 20/80
|
Data visualisation |
|
G16C 20/90
|
Programming languages; Computing architectures; Database systems; Data warehousing |
|
G16C 60/00
|
Computational materials science, i.e. ICT specially adapted for investigating the physical or chemical properties of materials or phenomena associated with their design, synthesis, processing, characterisation or utilisation |
|
G16C 99/00
|
Subject matter not provided for in other groups of this subclass |
