JChem
®
Structure Comparator
Please draw two structures and compare them with JChem
®
. Draw explicit H atoms on an atom in the query (author's structure) to exclude substitution at that site in the target (response).
Draw the target (student's response):
Draw the query (author's reference structure):
type of match
substructure
full fragment
full
duplicate (diagonal)
tetrahedral stereo mode
(specific means unspecified query matches specified target)
ignore
specific (default)
exact or specified stereoisomer
exact or enantiomer
exact (diagonal)
consider double bond stereochemistry
consider stereochemistry of odd-numbered cumulenes
(requires global stereo matching model)
consider axial stereochemistry
(requires global stereo matching model)
consider syn/anti stereochemistry
stereo matching model
local
global
comprehensive
charge matching
exact
default
ignore
radical matching
exact
default
ignore
isotope matching
exact
default
ignore
valence matching
true
false
bond vagueness
off
level 0.5
level 1 (default)
level 2
level 3
level 4
list all matches' atom index arrays
set OrderSensitiveSearch to true
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