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

Child Classifications

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• 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 20/70 Machine learning, data mining or chemometrics
• G16C 20/80 Data visualisation
• G16C 20/90 Programming languages; Computing architectures; Database systems; Data warehousing