Graphical Representation of Chemical Structures in Chemical Abstracts Service Publications.

Alan L. Goodson

Published in: J. Chem. Inf. Comput. Sci. (1980)

Keyphrases

chemical structures
graphical representation
chemical compounds
virtual screening
combining multiple clusterings
similarity searching
belief networks
influence diagrams
drug discovery
multi attribute
machine learning
similarity measure
structural features
low dimensional
microarray
binding sites