HomeBrowseText SearchFunctional Group Search Structure Search Reaction Search

selected data collection: 1

MolDB5R demo: structure search

You have to enable Java in your browser.
special symbols (to be entered via X-button):
A: any atom except H
Q: any atom except H and C
X: any halogen atom
H: explicit hydrogen

JME applet courtesy of Peter Ertl, Novartis



text input form
(MDL molfile format):

exact search substructure search similarity search, using a structural:functional similarity ratio of
strict atom/bond type comparison
check configuration (E/Z and R/S)

Found structures: