Subject
chemical reaction
2
chemical structure
2
chemistry
2
computational chemistry
2
computer application
2
data processing
database system
informatics
2
quantitative structure – activity relationship (QSAR)
2
spectrum
2
NMR spectroscopy
1
analysis
1
bioinformatics
1
chemical properties
1
chemical synthesis
1
chemometrics
1
computer algorithm
1
correlation
1
cosmetics
1
data acquisition
1
data analysis
1
disease
1
drug design
1
drug discovery
1
food technology
1
inorganic compound
1
mass spectroscopy
1
materials science
1
metabolic pathway
1
metabolism
1
modeling
1
molecular dynamics
1
molecular formula
1
molecular modeling
1
multivariate analysis
1
natural occurrence
1
natural organic compound
1
neural network (computing)
1
organic compound
1
pharmaceuticals
1
physical properties
1
prediction theory
1
process control
1
quantum chemistry
1
quantum mechanics
1
sensor (chemical)
1
structure retention relationship
1
validation
1