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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
100:0
90:10
80:20
70:30
60:40
50:50
40:60
30:70
20:80
10:90
0:100
strict atom/bond type comparison
check configuration (E/Z and R/S)
Found structures: