Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures

Classification Context

Section:

PHYSICS

Class:

INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS

Subclass:

COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE

Child Classifications

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• G16C 20/1 Analysis or design of chemical reactions, syntheses or processes
• G16C 20/2 Identification of molecular entities, parts thereof or of chemical compositions
• G16C 20/3 Prediction of properties of chemical compounds, compositions or mixtures
• G16C 20/4 Searching chemical structures or physicochemical data
• G16C 20/5 Molecular design, e.g. of drugs
• G16C 20/6 combinatorial chemistry
• G16C 20/7 Machine learning, data mining or chemometrics
• G16C 20/8 Data visualisation
• G16C 20/9 Programming languages; Computing architectures; Database systems; Data warehousing