Atom-Atom Mapping byProbability Optimization
?
?
function.
penalty
violation
Constraint
1
function.
penalty
violation
Constraint
1
optimizer.
d
constraine
Use
1
0
:
s
Constraint
.
for
function
this
optimize
and
1
,
0
for
cost
MCS
a weighted
to
s
degenerate
that
function
cost
a
Define
:
Idea
0
0
?
?
?
?
?
?
?
?
?
?
?
?
n
j
ij
m
i
ij
ij
ij
ij
p
p
p
p
p
?
?
reaction.
during
added
was
atom
product
that
,
y"
probabilit
"
reaction.
during
removed
was
atom
reactant
that
,
y"
probabilit
"
.
atom
product
to
maps
atom
reactant
that
,
y"
probabilit
"
,
Let
0
0
j
p
i
p
j
i
p
p
P
j
i
ij
ij
?
?
?
?
Previous slide
Next slide
Back to first slide
View graphic version