G16C10/00	7	Computational theoretical chemistry, i.e. ICT specially adapted for theoretical aspects of quantum chemistry, molecular mechanics, molecular dynamics or the like	G16C10/00	G16C10/00		4776
G16C20/00	7	Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures	G16C20/00	G16C20/00		130
G16C20/10	8	Analysis or design of chemical reactions, syntheses or processes	G16C20/10	G16C20/10		6350
G16C20/20	8	Identification of molecular entities, parts thereof or of chemical compositions	G16C20/20	G16C20/20		5519
G16C20/30	8	Prediction of properties of chemical compounds, compositions or mixtures	G16C20/30	G16C20/30		7396
G16C20/40	8	Searching chemical structures or physicochemical data	G16C20/40	G16C20/40		776
G16C20/50	8	Molecular design, e.g. of drugs	G16C20/50	G16C20/50		2796
G16C20/60	8	In silico combinatorial chemistry	G16C20/60	G16C20/60		675
G16C20/62	9	Design of libraries	G16C20/62	G16C20/62		113
G16C20/64	9	Screening of libraries	G16C20/64	G16C20/64		559
G16C20/70	8	Machine learning, data mining or chemometrics	G16C20/70	G16C20/70		11922
G16C20/80	8	Data visualisation	G16C20/80	G16C20/80		1307
G16C20/90	8	Programming languages; Computing architectures; Database systems; Data warehousing	G16C20/90	G16C20/90		2153
G16C60/00	7	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	G16C60/00	G16C60/00		11424
G16C99/00	7	Subject matter not provided for in other groups of this subclass	G16C99/00	G16C99/00		309
