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Identifica
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s
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a
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m
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rm
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v
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p
m
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t.
K
ey
w
o
r
d
s
:
Ag
ar
wo
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Aq
u
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s
p
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C
h
em
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d
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s
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E
s
s
en
tial o
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Self
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CC B
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C
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Un
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tr
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m
ed
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e,
an
d
cu
ltu
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p
r
ac
tices
[
1
]
–
[
3
]
.
I
t
f
o
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m
s
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r
o
u
g
h
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tan
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[
2
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,
[
3
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.
T
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co
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p
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s
a
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o
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ly
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k
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th
at
ass
is
t
in
s
p
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id
en
tific
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[
3
]
.
Acc
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id
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cr
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f
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p
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tectin
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ce
[
3
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.
Giv
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th
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s
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d
in
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c
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p
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A
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ad
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tical
m
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s
ar
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eq
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to
ca
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co
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p
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ex
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tr
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tech
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iq
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es o
f
te
n
p
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o
v
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in
s
u
f
f
i
cien
t
[
3
]
–
[
5
]
.
Am
o
n
g
th
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n
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co
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p
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d
s
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ex
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[
3
]
,
[
6
]
.
Evaluation Warning : The document was created with Spire.PDF for Python.
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Sp
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q
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[
7
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[
8
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.
T
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f
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ac
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[
4
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[
9
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Un
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c
o
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p
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f
A
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p
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o
r
s
p
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id
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tific
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s
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o
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m
ac
o
lo
g
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ap
p
licatio
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s
[
3
]
,
[
9
]
.
Desp
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n
u
m
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o
u
s
s
tu
d
ies
ex
p
lo
r
in
g
a
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’
s
ch
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p
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ties
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all
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s
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tiatio
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ased
o
n
c
h
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m
ar
k
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s
r
em
ai
n
s
[
3
]
,
[
1
0
]
.
Ad
d
itio
n
ally
,
th
e
ch
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co
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p
o
s
itio
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o
f
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wo
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f
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m
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in
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[
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[
1
1
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[
1
2
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.
Self
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SOM
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)
,
an
u
n
s
u
p
e
r
v
is
ed
m
ac
h
in
e
lear
n
in
g
m
et
h
o
d
,
o
f
f
er
a
p
o
wer
f
u
l
ap
p
r
o
ac
h
f
o
r
a
n
aly
zin
g
h
ig
h
-
d
im
en
s
io
n
al
b
io
lo
g
ical
d
at
a
[
1
3
]
.
SOMs
ar
e
ef
f
ec
tiv
e
in
clu
s
ter
in
g
an
d
v
is
u
alizin
g
co
m
p
lex
d
atasets
,
en
ab
lin
g
r
esear
c
h
er
s
to
u
n
c
o
v
er
p
atter
n
s
an
d
r
elatio
n
s
h
ip
s
th
at
m
ig
h
t
n
o
t
b
e
ea
s
ily
d
etec
ted
u
s
in
g
tr
ad
itio
n
al
s
tatis
t
ical
m
eth
o
d
s
[
1
3
]
,
[
1
4
]
.
B
y
co
n
v
er
tin
g
m
u
lti
-
d
im
e
n
s
io
n
al
d
ata
o
n
t
o
a
two
-
d
im
en
s
io
n
al
g
r
id
,
SOMs
p
r
o
v
i
d
e
an
ac
ce
s
s
ib
le
v
is
u
a
l
r
ep
r
esen
tatio
n
o
f
th
e
c
h
em
ical
an
d
b
io
lo
g
ical
d
iv
er
s
ity
with
in
A
q
u
ila
r
ia
s
p
ec
ies
[
1
3
]
,
[
1
5
]
.
Alth
o
u
g
h
SOMs
h
av
e
b
ee
n
wid
ely
u
s
ed
in
ar
ea
s
lik
e
ch
em
o
tax
o
n
o
m
y
an
d
m
etab
o
lo
m
ics,
th
eir
ap
p
licatio
n
to
ag
a
r
wo
o
d
a
n
aly
s
is
h
as
b
ee
n
lim
ited
.
W
h
en
c
o
m
b
in
e
d
with
q
u
an
titativ
e
m
eth
o
d
s
,
s
u
ch
as
b
o
x
p
lo
ts
,
SOMs
cr
ea
te
a
th
o
r
o
u
g
h
f
r
am
ewo
r
k
f
o
r
u
n
d
er
s
tan
d
in
g
th
e
s
p
ec
if
ic
v
ar
iatio
n
s
in
co
m
p
o
u
n
d
s
an
d
th
ei
r
b
io
lo
g
ical
im
p
o
r
tan
ce
[
1
6
]
.
C
o
m
p
ar
ed
with
tr
ad
itio
n
al
clu
s
ter
in
g
tech
n
iq
u
es
s
u
ch
as
p
r
in
cip
al
co
m
p
o
n
en
t
an
aly
s
is
(
PC
A)
an
d
h
ier
ar
ch
ical
clu
s
ter
in
g
,
SOM
ex
ce
ls
at
p
r
eser
v
in
g
th
e
to
p
o
lo
g
ical
s
tr
u
ctu
r
e
o
f
h
ig
h
-
d
im
en
s
io
n
al
d
ata,
p
r
o
v
id
i
n
g
m
o
r
e
in
tu
itiv
e
a
n
d
ac
cu
r
ate
in
s
ig
h
ts
in
to
co
m
p
lex
d
atasets
[
1
3
]
,
[
1
4
]
,
[
1
7
]
.
T
h
is
m
ak
es
SOM
p
ar
ticu
lar
ly
e
f
f
ec
tiv
e
f
o
r
id
e
n
tify
in
g
s
u
b
tle
ch
em
ical
p
at
ter
n
s
an
d
r
elatio
n
s
h
ip
s
,
wh
i
ch
ar
e
c
r
itical
f
o
r
s
p
ec
ies
-
s
p
ec
if
ic
class
if
icatio
n
an
d
ec
o
lo
g
ical
s
tu
d
ies
[
1
3
]
,
[
1
5
]
.
T
h
e
u
s
e
o
f
SOM
in
th
is
s
tu
d
y
allo
ws
f
o
r
th
e
d
etailed
m
ap
p
in
g
o
f
ch
e
m
ical
d
iv
er
s
ity
a
n
d
th
e
id
en
tifi
ca
tio
n
o
f
s
ig
n
if
ica
n
t
m
ar
k
er
s
th
at
d
if
f
er
en
tiate
A
q
u
ila
r
ia
s
p
ec
ies,
co
n
tr
ib
u
tin
g
to
b
o
t
h
s
cien
tific
u
n
d
er
s
tan
d
in
g
an
d
p
r
ac
tical
co
n
s
er
v
atio
n
ef
f
o
r
ts
.
T
h
is
s
tu
d
y
u
s
es
SOMs
to
ex
p
lo
r
e
th
e
ch
em
ical
d
iv
er
s
ity
am
o
n
g
A
q
u
ila
r
ia
s
p
ec
ies
an
d
id
en
tif
y
s
ig
n
if
ican
t
ch
em
ical
co
m
p
o
u
n
d
s
f
o
r
s
p
ec
ies
class
if
icatio
n
.
I
t
also
h
elp
s
r
ed
u
ce
th
e
n
u
m
b
er
o
f
in
p
u
t
v
ar
iab
les
b
y
f
o
cu
s
in
g
o
n
r
elev
an
t
d
ata
an
d
r
em
o
v
in
g
u
n
n
ec
ess
ar
y
in
f
o
r
m
atio
n
[
1
6
]
.
T
h
e
f
in
d
i
n
g
s
aim
to
p
r
o
v
id
e
in
s
ig
h
ts
in
to
th
e
e
v
o
lu
tio
n
a
r
y
ad
ap
tatio
n
s
o
f
th
ese
s
p
ec
ies
a
n
d
th
eir
r
esp
o
n
s
es
to
en
v
ir
o
n
m
en
tal
s
tr
ess
[
2
]
,
[
3
]
.
T
h
ese
in
s
ig
h
ts
ar
e
cr
u
cial
f
o
r
s
u
s
tain
ab
le
ag
ar
wo
o
d
m
an
a
g
e
m
en
t,
co
n
s
id
er
in
g
t
h
e
g
r
o
win
g
g
lo
b
al
d
em
a
n
d
f
o
r
ag
ar
wo
o
d
an
d
th
e
in
cr
ea
s
in
g
r
is
k
s
o
f
o
v
e
r
ex
p
l
o
itatio
n
[
3
]
,
[
1
3
]
,
[
1
8
]
.
T
h
er
ef
o
r
e,
ac
cu
r
ate
c
h
em
ical
ch
ar
ac
ter
izatio
n
is
ess
en
tial
f
o
r
co
n
s
er
v
atio
n
p
lan
n
in
g
an
d
en
s
u
r
in
g
th
e
lo
n
g
-
ter
m
s
u
r
v
iv
al
o
f
A
q
u
ila
r
ia
p
o
p
u
latio
n
s
[
3
]
,
[
1
1
]
,
[
1
8
]
.
O
v
er
all,
th
is
r
esear
ch
p
r
o
v
id
es
v
alu
ab
le
in
s
ig
h
ts
to
s
u
p
p
o
r
t
e
f
f
o
r
ts
in
p
r
o
tectin
g
th
ese
s
p
ec
ies an
d
en
h
an
cin
g
th
e
ec
o
lo
g
ical
an
d
m
ed
icin
al
p
o
t
en
tial o
f
ag
ar
w
o
o
d
.
2.
M
E
T
H
O
D
T
h
is
s
ec
tio
n
d
escr
ib
es
th
e
m
eth
o
d
o
lo
g
y
u
s
ed
to
an
al
y
ze
th
e
ess
en
tial
o
ils
f
r
o
m
v
ar
io
u
s
A
q
u
ila
r
ia
s
p
ec
ies,
with
a
f
o
cu
s
o
n
s
am
p
le
ex
tr
ac
tio
n
,
co
m
p
o
u
n
d
id
e
n
tific
atio
n
,
an
d
a
d
v
an
ce
d
d
ata
a
n
aly
s
is
tech
n
iq
u
es.
T
h
e
ap
p
r
o
ac
h
en
s
u
r
es
ac
c
u
r
a
te
ch
em
ical
p
r
o
f
ilin
g
,
aid
in
g
in
th
e
d
if
f
er
e
n
tiatio
n
o
f
s
p
e
cies
b
ased
o
n
t
h
eir
ch
em
ical
co
m
p
o
s
itio
n
.
T
h
e
s
ec
tio
n
is
d
iv
id
ed
in
to
two
s
u
b
s
ec
tio
n
s
:
2
.
1
d
ata
co
llectio
n
an
d
ex
p
e
r
im
en
tal
s
etu
p
,
d
etailin
g
th
e
s
am
p
le
p
r
ep
ar
atio
n
,
e
x
tr
ac
tio
n
m
eth
o
d
s
,
an
d
th
e
u
s
e
o
f
g
as
c
h
r
o
m
ato
g
r
ap
h
y
-
m
ass
s
p
ec
tr
o
m
etr
y
(
GC
-
MS)
co
u
p
l
ed
with
g
as
ch
r
o
m
ato
g
r
ap
h
y
-
f
lam
e
io
n
izatio
n
d
etec
to
r
(
GC
-
FID
)
f
o
r
c
o
m
p
o
u
n
d
d
etec
tio
n
;
an
d
2
.
2
SOM
an
aly
s
is
,
wh
ich
o
u
tlin
es
th
e
u
s
e
o
f
m
ac
h
i
n
e
lear
n
i
n
g
tech
n
iq
u
es
to
id
e
n
tify
u
n
d
er
ly
i
n
g
p
atter
n
s
in
t
h
e
d
a
ta.
T
h
is
co
m
b
i
n
ed
a
p
p
r
o
ac
h
en
h
an
ce
s
th
e
p
r
ec
is
io
n
o
f
c
h
em
ical
an
aly
s
is
an
d
s
p
ec
ies
clas
s
if
icatio
n
.
T
h
e
o
v
er
all
ex
p
er
im
e
n
tal
an
d
an
aly
tical
wo
r
k
f
lo
w
o
f
th
e
s
tu
d
y
,
f
r
o
m
s
am
p
le
p
r
ep
ar
atio
n
to
s
p
ec
ies d
if
f
er
e
n
tiatio
n
,
is
s
u
m
m
ar
ized
in
Fig
u
r
e
1
.
2
.
1
.
Da
t
a
c
o
llect
io
n a
nd
ex
perim
ent
a
l set
up
T
h
e
ess
en
tial
o
il
s
am
p
les
ev
alu
ated
in
th
is
s
tu
d
y
wer
e
d
er
i
v
ed
f
r
o
m
v
a
r
io
u
s
A
q
u
ila
r
ia
s
p
ec
ies
an
d
p
r
ep
ar
e
d
b
y
th
e
B
io
Ar
o
m
ati
c
R
esear
ch
C
en
tr
e
o
f
E
x
ce
ll
en
ce
(
B
AR
C
E
)
at
Un
iv
er
s
iti
Ma
lay
s
ia
Pah
an
g
Al
-
Su
ltan
Ab
d
u
llah
(
UM
PS
A
)
.
T
h
e
ch
em
ical
p
r
o
f
ilin
g
o
f
th
ese
s
am
p
les
wa
s
co
n
d
u
cted
u
s
in
g
b
o
th
GC
-
MS
an
d
GC
-
FID
.
A
to
tal
o
f
7
2
0
o
il
s
am
p
les
wer
e
a
n
aly
ze
d
,
f
o
cu
s
in
g
o
n
s
ix
p
r
in
ci
p
al
ch
e
m
ical
co
n
s
titu
en
ts
:
β
-
Selin
en
e,
Dih
y
d
r
o
-
β
-
ag
ar
o
f
u
r
an
,
δ
-
Gu
aien
e
,
1
0
-
ep
i
-
γ
-
E
u
d
esm
o
l,
γ
-
E
u
d
esm
o
l,
an
d
Pen
tad
ec
an
o
ic
ac
id
,
lab
elled
as
c
o
m
p
o
u
n
d
s
A
th
r
o
u
g
h
F,
r
esp
ec
tiv
ely
.
T
h
ese
co
m
p
o
u
n
d
s
wer
e
id
e
n
tifie
d
in
o
ils
ex
tr
ac
ted
f
r
o
m
f
o
u
r
A
q
u
ila
r
ia
s
p
ec
ies:
A
.
b
ec
ca
r
ia
n
a
(
AB
)
,
A
.
ma
la
cc
en
s
is
(
AM
)
,
A
.
cra
s
s
n
a
(
AC
)
,
a
n
d
A
.
s
u
b
in
teg
r
a
(
AS)
.
T
h
e
r
elativ
e
ab
u
n
d
an
ce
o
f
ea
ch
co
m
p
o
u
n
d
,
ex
p
r
ess
ed
as
p
ea
k
ar
ea
(
%)
f
r
o
m
GC
-
MS
an
aly
s
is
,
was
u
s
ed
to
co
m
p
ar
e
th
e
ch
em
ical
p
r
o
f
iles
ac
r
o
s
s
s
p
ec
ies.
Evaluation Warning : The document was created with Spire.PDF for Python.
I
n
t J Ar
tif
I
n
tell
I
SS
N:
2252
-
8
9
3
8
I
d
en
tifi
ca
tio
n
o
f
ch
emic
a
l m
a
r
ke
r
s
fo
r
s
p
ec
ies d
iffe
r
en
tia
tio
n
in
A
q
u
ila
r
ia
…
(
N
u
r
A
th
ir
a
h
S
ya
fiq
a
h
N
o
r
a
mli)
1341
T
h
e
ex
tr
ac
tio
n
o
f
ess
en
tial o
ils
was
p
er
f
o
r
m
ed
u
s
in
g
a
m
eth
o
d
th
at
in
v
o
lv
e
d
s
o
ak
in
g
ag
ar
wo
o
d
ch
ip
s
in
wate
r
f
o
r
s
ev
er
al
d
a
y
s
to
s
o
f
ten
th
e
o
il
-
b
ea
r
i
n
g
s
tr
u
c
tu
r
es.
T
h
is
was
f
o
llo
wed
b
y
h
y
d
r
o
d
is
till
atio
n
,
wh
ich
last
ed
th
r
ee
to
f
iv
e
d
ay
s
.
Af
ter
ex
tr
ac
tio
n
,
th
e
o
ils
w
er
e
d
ilu
ted
with
an
aly
tical
-
g
r
a
d
e
d
ich
lo
r
o
m
eth
an
e
(
DC
M)
to
p
r
ep
a
r
e
th
em
f
o
r
an
aly
s
is
.
Fo
r
GC
-
MS,
an
Ag
ilen
t
7
8
9
0
B
GC
s
y
s
tem
co
u
p
le
d
with
an
Ag
ilen
t
5
9
7
7
A
m
ass
s
p
ec
tr
o
m
eter
d
etec
to
r
(
MSD)
was
u
tili
ze
d
.
T
h
e
an
aly
s
is
em
p
lo
y
ed
a
DB
-
1
m
s
co
lu
m
n
(
3
0
m
×
2
5
0
μ
m
×0
.
2
5
μ
m
)
wit
h
h
eliu
m
as
th
e
ca
r
r
ier
g
as
at
a
f
lo
w
r
ate
o
f
1
.
0
m
L
/m
in
.
T
h
e
o
v
en
was
in
itially
s
et
to
8
0
°C
an
d
r
am
p
ed
u
p
b
y
3
°C
/m
in
u
n
til
it
r
ea
ch
ed
2
5
0
°C
,
wh
er
e
it
was
h
eld
f
o
r
th
r
ee
m
in
u
tes.
T
h
e
m
ass
s
p
ec
tr
o
m
eter
o
p
e
r
ated
i
n
elec
tr
o
n
io
n
izatio
n
(
E
I
)
m
o
d
e
at
7
0
eV.
I
d
e
n
tific
atio
n
o
f
co
m
p
o
u
n
d
s
was
b
ased
o
n
s
p
ec
tr
al
co
m
p
ar
is
o
n
with
en
tr
ies in
th
e
NI
ST
lib
r
ar
y
,
u
s
in
g
a
m
in
im
u
m
m
atch
th
r
esh
o
ld
o
f
8
0
%.
Fo
r
th
e
GC
-
FID
an
aly
s
is
,
th
e
s
am
e
GC
s
y
s
tem
was
em
p
lo
y
ed
,
b
u
t
with
a
f
lam
e
io
n
izatio
n
d
e
tecto
r
s
et
at
2
5
0
°C
to
q
u
an
tify
th
e
tar
g
et
co
m
p
o
u
n
d
s
.
T
h
e
co
m
b
i
n
ed
r
esu
lts
f
r
o
m
GC
-
MS
an
d
GC
-
FID
p
r
o
v
id
ed
q
u
an
titativ
e
p
ea
k
ar
ea
d
ata
f
o
r
ea
c
h
co
m
p
o
u
n
d
,
f
ac
ilit
atin
g
a
co
m
p
r
eh
e
n
s
iv
e
co
m
p
ar
is
o
n
o
f
ch
e
m
ical
co
n
s
titu
en
ts
ac
r
o
s
s
th
e
f
o
u
r
A
q
u
ila
r
ia
s
p
ec
ies.
T
ab
le
1
p
r
o
v
i
d
es
a
s
u
m
m
ar
y
o
f
th
e
d
ataset,
co
m
p
r
is
in
g
7
2
0
s
am
p
les
r
ep
r
esen
tin
g
t
h
e
f
o
u
r
A
q
u
ila
r
ia
s
p
ec
ies.
T
h
e
s
ix
s
elec
ted
C
o
m
p
o
u
n
d
s
(
A,
B
,
C
,
D,
E
,
a
n
d
F)
wer
e
co
n
s
is
ten
tly
p
r
esen
t
ac
r
o
s
s
all
s
am
p
les,
as
ev
id
en
ce
d
b
y
th
eir
p
r
o
m
in
e
n
t
p
ea
k
ar
ea
s
(
%)
in
th
e
ch
r
o
m
ato
g
r
ap
h
ic
a
n
aly
s
es
[
1
9
]
.
T
h
e
s
e
co
m
p
o
u
n
d
s
ar
e
r
ec
o
g
n
ized
as
im
p
o
r
tan
t
in
d
i
ca
to
r
s
o
f
a
g
ar
wo
o
d
q
u
ality
,
i
n
f
lu
en
cin
g
b
o
th
th
e
f
r
a
g
r
an
c
e
p
r
o
f
ile
an
d
r
esin
co
m
p
o
s
itio
n
o
f
th
e
o
ils
[
4
]
,
[
2
0
]
.
Am
o
n
g
th
em
,
C
o
m
p
o
u
n
d
s
A,
C
,
an
d
E
ar
e
p
ar
ticu
lar
l
y
ass
o
ciate
d
with
th
e
d
is
tin
ctiv
e
ar
o
m
a
an
d
r
esin
o
u
s
p
r
o
p
er
ties
o
f
a
g
ar
wo
o
d
.
C
o
m
p
o
u
n
d
s
B
an
d
D
ar
e
n
o
tab
le
f
o
r
th
eir
b
io
lo
g
ical
r
elev
an
ce
,
wh
ile
F,
alth
o
u
g
h
less
p
r
o
m
in
en
t,
s
er
v
es
as
a
s
ec
o
n
d
ar
y
m
ar
k
er
f
o
r
s
p
ec
ies
d
if
f
er
en
tiatio
n
.
T
h
e
r
eliab
le
p
r
esen
ce
an
d
s
ig
n
if
ic
an
t
r
ep
r
esen
tatio
n
o
f
th
ese
c
o
m
p
o
u
n
d
s
in
GC
-
MS
an
d
GC
-
FID
an
aly
s
es
m
ad
e
th
em
id
ea
l
f
o
r
f
u
r
th
er
in
v
esti
g
atio
n
an
d
class
if
icatio
n
.
Fo
r
d
ata
an
aly
s
is
an
d
class
if
icatio
n
,
th
e
ch
e
m
ical
co
m
p
o
s
itio
n
d
ata
wer
e
p
r
o
ce
s
s
ed
u
s
in
g
MA
T
L
AB
(
v
er
s
io
n
R
2
0
2
4
a)
.
T
h
e
s
elec
ted
co
m
p
o
u
n
d
s
s
er
v
ed
as
in
p
u
ts
,
wh
ile
th
e
s
p
ec
ies
class
if
icatio
n
s
er
v
ed
as
th
e
o
u
t
p
u
t,
f
o
r
m
in
g
th
e
b
asis
f
o
r
f
u
r
th
er
co
m
p
u
tatio
n
al
a
n
d
s
tatis
t
ical
an
aly
s
es.
Fig
u
r
e
1
.
SOM
wo
r
k
f
lo
w
f
o
r
c
h
em
ical
m
ar
k
er
id
en
tific
atio
n
T
ab
le
1
.
Dis
tr
ib
u
tio
n
o
f
c
h
em
i
ca
l c
o
m
p
o
u
n
d
s
an
d
th
eir
p
ea
k
ar
ea
s
% a
m
o
n
g
A
q
u
ila
r
ia
s
p
ec
ies
C
o
d
e
C
o
m
p
o
u
n
d
s
I
n
d
e
n
t
,
m
o
d
e
P
e
a
k
a
r
e
a
(
%)
AB
AM
AC
AS
A
β
-
S
e
l
i
n
e
n
e
M
S
,
F
I
D
0
.
6
6
0
.
5
6
0
.
1
1
0
.
3
7
B
D
i
h
y
r
o
-
β
-
a
g
a
r
o
f
u
r
a
n
M
S
,
F
I
D
1
.
2
5
0
.
5
5
0
.
4
8
0
.
4
4
C
δ
-
G
u
a
i
e
n
e
M
S
,
F
I
D
0
.
7
4
2
.
0
2
0
.
2
1
0
.
3
5
D
10
-
e
p
i
-
γ
-
E
u
d
e
sm
o
l
M
S
,
F
I
D
0
.
3
4
6
.
7
3
2
.
5
4
2
.
1
6
E
γ
-
Eu
d
e
s
mo
l
M
S
,
F
I
D
0
.
2
6
2
.
1
7
0
.
9
5
1
.
8
5
F
P
e
n
t
a
d
e
c
a
n
o
i
c
a
c
i
d
M
S
,
F
I
D
0
.
1
5
0
.
1
5
0
.
1
4
0
.
4
6
B
ef
o
r
e
th
e
SOM
a
n
aly
s
is
,
th
e
ch
em
ical
c
o
m
p
o
s
itio
n
d
ata
wer
e
p
r
e
p
r
o
ce
s
s
ed
to
en
s
u
r
e
co
n
s
is
ten
cy
an
d
co
m
p
a
r
ab
ilit
y
ac
r
o
s
s
s
am
p
les.
T
h
e
p
ea
k
ar
ea
(
%)
o
f
c
o
m
p
o
u
n
d
s
A
th
r
o
u
g
h
F
wer
e
n
o
r
m
alize
d
to
r
ed
u
ce
s
ca
le
d
if
f
er
en
ce
s
an
d
m
in
im
iz
e
b
ias
ar
is
in
g
f
r
o
m
v
ar
iatio
n
i
n
co
m
p
o
u
n
d
ab
u
n
d
a
n
ce
.
T
h
e
n
o
r
m
alize
d
v
alu
es
wer
e
th
en
ar
r
a
n
g
ed
in
t
o
an
i
n
p
u
t
m
atr
ix
,
with
ea
ch
r
o
w
r
ep
r
esen
tin
g
an
in
d
iv
id
u
al
o
i
l
s
am
p
le
an
d
ea
ch
co
lu
m
n
co
r
r
esp
o
n
d
in
g
to
a
s
elec
ted
ch
em
ical
co
m
p
o
u
n
d
.
Sp
ec
ies
lab
els
wer
e
ass
ig
n
ed
as
o
u
tp
u
t
v
ar
iab
les.
T
h
is
in
p
u
t m
atr
ix
s
er
v
ed
as th
e
b
asis
f
o
r
s
u
b
s
eq
u
en
t SOM
tr
ain
in
g
an
d
an
aly
s
is
.
Evaluation Warning : The document was created with Spire.PDF for Python.
I
SS
N
:
2
2
5
2
-
8
9
3
8
I
n
t J Ar
tif
I
n
tell
,
Vo
l.
1
5
,
No
.
2
,
Ap
r
il 2
0
2
6
:
1
3
3
9
-
1
3
4
8
1342
2
.
2
.
Self
-
o
rg
a
nizin
g
ma
p a
n
a
ly
s
is
SOM
is
a
p
o
wer
f
u
l
u
n
s
u
p
e
r
v
is
ed
m
ac
h
in
e
lear
n
i
n
g
tec
h
n
iq
u
e
f
o
r
an
aly
zi
n
g
an
d
v
is
u
alizin
g
h
ig
h
-
d
im
e
n
s
io
n
al
d
atasets
.
B
y
m
ap
p
in
g
m
u
lti
-
d
im
en
s
io
n
al
in
p
u
t
d
ata
o
n
to
a
two
-
d
im
e
n
s
io
n
al
g
r
id
,
SOM
r
ev
ea
ls
h
id
d
e
n
p
atter
n
s
,
cl
u
s
ter
s
,
an
d
r
elatio
n
s
h
ip
s
,
m
ak
i
n
g
it
p
a
r
ticu
lar
ly
u
s
ef
u
l
i
n
b
io
lo
g
ical
an
d
ch
e
m
ical
r
esear
ch
in
v
o
lv
in
g
co
m
p
lex
,
m
u
lti
-
v
ar
iab
le
d
ata
[
1
3
]
,
[
1
7
]
,
[
2
1
]
.
A
k
e
y
ad
v
an
tag
e
o
f
SO
M
lies
in
its
ca
p
ac
ity
to
p
r
eser
v
e
th
e
to
p
o
lo
g
ical
r
elatio
n
s
h
ip
s
o
f
th
e
in
p
u
t
d
ata
wh
ile
g
r
o
u
p
in
g
s
im
il
ar
o
b
s
er
v
atio
n
s
an
d
em
p
h
asizin
g
d
if
f
er
e
n
ce
s
am
o
n
g
th
em
[
2
2
]
.
C
o
m
p
o
n
e
n
t
o
r
weig
h
t
p
lan
e
illu
s
tr
ate
th
e
d
is
tr
ib
u
tio
n
o
f
in
d
iv
id
u
al
v
a
r
iab
les
ac
r
o
s
s
th
e
SOM
g
r
id
th
r
o
u
g
h
co
lo
r
g
r
ad
ien
ts
,
wh
er
e
v
ar
iatio
n
s
in
co
lo
r
in
ten
s
ity
co
r
r
esp
o
n
d
to
r
elativ
e
weig
h
t
v
alu
es f
o
r
ea
c
h
v
ar
ia
b
le
at
th
e
n
eu
r
o
n
lev
el
[
1
5
]
.
An
o
th
er
im
p
o
r
tan
t
v
is
u
aliza
tio
n
to
o
l
f
o
r
SOMs
is
th
e
u
n
i
f
ied
d
is
tan
ce
m
atr
ix
(
U
-
m
atr
i
x
)
,
wh
ich
d
ep
icts
th
e
d
is
tan
ce
s
b
etwe
e
n
n
eig
h
b
o
r
in
g
n
eu
r
o
n
s
u
s
in
g
a
co
lo
r
s
ca
le.
I
n
th
is
r
e
p
r
esen
t
atio
n
,
d
a
r
k
er
co
lo
r
s
ty
p
ically
in
d
icate
lar
g
e
r
in
ter
-
n
eu
r
o
n
d
is
tan
ce
s
co
r
r
esp
o
n
d
i
n
g
to
clu
s
ter
b
o
u
n
d
ar
ies,
wh
e
r
ea
s
lig
h
ter
co
lo
r
s
d
en
o
te
s
m
aller
d
is
tan
ce
s
with
in
clu
s
ter
s
,
th
er
eb
y
f
ac
ilit
at
in
g
th
e
id
en
tific
atio
n
o
f
clu
s
ter
s
tr
u
ctu
r
e
an
d
r
elatio
n
s
h
ip
s
[
1
5
]
,
[
2
3
]
–
[
2
6
]
.
T
h
e
U
-
m
atr
ix
is
o
f
ten
p
air
e
d
with
s
am
p
le
d
is
tr
ib
u
tio
n
m
ap
s
an
d
co
m
p
o
n
en
t
p
lan
es
f
o
r
d
ee
p
er
in
s
ig
h
ts
in
to
d
ata
s
tr
u
ctu
r
es
[
2
6
]
,
[
2
7
]
.
I
n
t
h
e
co
n
te
x
t
o
f
A
q
u
ila
r
ia
s
p
ec
ie
s
,
SOM
h
as
p
r
o
v
e
n
v
alu
ab
le
in
d
is
tin
g
u
is
h
in
g
ch
e
m
ical
m
ar
k
er
s
th
at
ar
e
s
p
ec
if
i
c
to
ce
r
tain
s
p
ec
ies
o
r
en
v
ir
o
n
m
en
tal
co
n
d
itio
n
s
,
s
u
ch
as
ce
r
tain
ar
o
m
atic
ch
em
icals
(
e.
g
.
,
p
la
n
t
-
b
ased
o
ils
an
d
r
esin
s
)
,
ch
r
o
m
o
n
es
(
a
ty
p
e
o
f
o
r
g
a
n
ic
m
o
lecu
le
)
an
d
o
th
er
s
ec
o
n
d
ar
y
m
etab
o
lites
th
at
co
n
tr
ib
u
te
to
th
e
u
n
iq
u
e
c
h
ar
ac
ter
is
tics
o
f
ag
ar
wo
o
d
[
1
3
]
,
[
1
5
]
.
Fu
r
th
er
m
o
r
e
,
SOM
ex
h
i
b
its
s
tr
o
n
g
r
o
b
u
s
tn
ess
wh
en
a
p
p
l
ied
to
lar
g
e
an
d
n
o
is
y
d
atas
ets,
p
ar
ticu
lar
ly
in
s
itu
atio
n
s
wh
er
e
h
ig
h
d
ata
co
m
p
lex
ity
p
r
esen
ts
s
ig
n
if
ican
t a
n
aly
tical
ch
allen
g
es
[
2
8
]
.
Nu
m
e
r
o
u
s
s
tu
d
ie
s
h
ig
h
l
ig
h
t
t
h
e
ef
f
ec
tiv
en
e
s
s
o
f
S
OM
ac
r
o
s
s
v
ar
io
u
s
f
ie
ld
s
.
Fo
r
in
s
t
an
c
e
,
S
OM
h
a
s
b
ee
n
u
s
ed
to
c
la
s
s
i
f
y
p
lan
t
s
p
ec
i
e
s
b
y
t
h
e
ir
ch
em
ic
al
co
m
p
o
s
it
io
n
,
d
i
s
tin
g
u
i
s
h
in
g
m
ed
ic
i
n
al
p
l
an
t
s
b
a
s
e
d
o
n
v
o
la
ti
le
o
r
g
an
ic
co
m
p
o
u
n
d
s
[
2
8
]
.
I
n
A
q
u
ila
r
ia
r
e
s
ea
r
ch
,
SO
M
h
a
s
an
aly
ze
d
th
e
ch
e
m
ic
al
d
iv
er
s
ity
o
f
ag
ar
wo
o
d
o
il
s
,
u
n
co
v
er
ed
s
p
e
cie
s
-
s
p
ec
if
i
c
ch
em
ic
al
p
r
o
f
i
le
s
an
d
p
r
o
v
id
ed
in
s
i
g
h
t
s
in
to
t
h
eir
ec
o
lo
g
ica
l
a
n
d
p
h
ar
m
a
co
l
o
g
i
ca
l
p
r
o
p
er
ti
e
s
[
1
3
]
,
[
1
5
]
.
B
y
v
i
s
u
al
iz
in
g
co
m
p
lex
d
at
a,
S
OM
id
en
ti
f
i
es
ch
em
i
ca
l
m
ar
k
er
s
cr
u
c
ia
l
f
o
r
s
p
ec
ie
s
d
if
f
e
r
en
ti
at
io
n
,
co
n
s
er
v
a
ti
o
n
,
an
d
s
u
s
t
ain
a
b
l
e
r
e
s
o
u
r
ce
m
an
ag
e
m
en
t.
W
h
en
co
m
b
in
e
d
wi
th
m
et
h
o
d
s
l
ik
e
b
o
x
p
lo
ts
o
r
h
i
er
ar
ch
ica
l
clu
s
ter
in
g
,
S
OM
f
o
r
m
s
a
r
o
b
u
s
t
f
r
am
ew
o
r
k
f
o
r
in
ter
p
r
e
tin
g
s
p
e
ci
e
s
-
s
p
e
cif
ic
b
io
ch
em
ic
al
ch
ar
a
ct
er
is
t
ic
s
.
R
ec
en
t
s
tu
d
ies
h
av
e
in
v
esti
g
a
ted
ch
em
ical
d
iv
er
s
ity
am
o
n
g
A
q
u
ila
r
ia
s
p
ec
ies
u
s
in
g
SO
Ms,
lead
in
g
to
th
e
i
d
en
tific
atio
n
o
f
ch
em
i
ca
l
m
ar
k
er
s
th
at
d
is
tin
g
u
is
h
s
p
ec
ies
an
d
to
im
p
r
o
v
ed
u
n
d
er
s
tan
d
in
g
o
f
th
eir
ec
o
lo
g
ical
r
o
les,
ev
o
l
u
tio
n
ar
y
ad
ap
tatio
n
,
an
d
p
o
ten
tial
ap
p
licatio
n
s
in
p
h
ar
m
ac
o
l
o
g
y
a
n
d
co
n
s
er
v
atio
n
[
1
3
]
.
Owin
g
to
its
ca
p
ac
ity
t
o
h
a
n
d
le
co
m
p
lex
,
h
ig
h
-
d
im
e
n
s
io
n
al
d
atasets
,
SOM
h
as
em
e
r
g
ed
as
a
n
ess
en
tial
an
aly
tical
to
o
l
in
ch
em
ical
ec
o
lo
g
y
an
d
s
u
s
tain
ab
le
n
at
u
r
al
r
eso
u
r
ce
m
an
a
g
em
en
t.
I
n
th
is
co
n
tex
t,
its
ap
p
licatio
n
to
ag
ar
w
o
o
d
r
ese
ar
ch
is
p
ar
ticu
lar
ly
s
ig
n
if
ican
t.
An
aly
s
is
o
f
ch
em
ical
p
r
o
f
il
es
ac
r
o
s
s
d
if
f
er
en
t
A
q
u
ila
r
ia
s
p
ec
ies
u
s
in
g
SOM
en
ab
les
th
e
id
en
tific
atio
n
o
f
k
ey
d
is
cr
im
in
ativ
e
c
o
m
p
o
u
n
d
s
a
n
d
p
r
o
v
id
es
in
s
ig
h
t in
to
s
p
ec
ies
-
s
p
ec
if
ic
ec
o
lo
g
ical
in
ter
ac
tio
n
s
an
d
ev
o
lu
tio
n
ar
y
h
is
to
r
y
.
3.
RE
SU
L
T
S AN
D
D
I
SCU
SS
I
O
N
T
h
is
s
ec
tio
n
p
r
esen
ts
th
e
f
in
d
in
g
s
o
f
th
e
s
tu
d
y
,
f
o
cu
s
in
g
o
n
t
h
e
id
e
n
tific
atio
n
a
n
d
a
n
aly
s
is
o
f
s
ig
n
if
ican
t
ch
em
ical
m
ar
k
er
s
f
o
r
s
p
ec
ies
d
if
f
er
en
tiatio
n
in
t
h
e
A
q
u
ila
r
ia
g
en
u
s
.
T
h
e
r
esu
l
ts
p
r
o
v
id
e
v
alu
ab
le
in
s
ig
h
ts
in
to
th
e
c
h
em
ical
co
m
p
o
s
itio
n
o
f
AB
,
AM
,
AC
,
an
d
AS,
h
ig
h
lig
h
tin
g
th
e
im
p
o
r
tan
ce
o
f
s
p
ec
if
ic
ch
em
ical
co
m
p
o
u
n
d
s
in
d
is
tin
g
u
is
h
in
g
th
ese
s
p
ec
ies.
T
h
e
d
is
cu
s
s
io
n
in
clu
d
es
an
an
al
y
s
is
o
f
clu
s
ter
in
g
p
atter
n
s
b
ased
o
n
th
e
SOM
ap
p
r
o
ac
h
,
th
e
r
a
n
k
in
g
o
f
c
o
m
p
o
u
n
d
ab
u
n
d
an
ce
,
an
d
t
h
e
id
en
ti
f
icatio
n
o
f
s
ig
n
at
u
r
e
co
m
p
o
u
n
d
s
.
T
h
ese
f
in
d
in
g
s
s
h
ed
lig
h
t
o
n
th
e
p
o
ten
ti
al
ec
o
lo
g
ical,
m
etab
o
lic,
an
d
p
h
ar
m
ac
o
lo
g
ical
im
p
licatio
n
s
o
f
th
e
c
h
em
ical
d
iv
er
s
ity
with
in
th
ese
s
p
ec
ies.
3
.
1
.
I
dentif
ica
t
io
n o
f
k
e
y
ch
em
ica
l ma
rk
er
s
f
o
r
s
pecies d
if
f
er
ent
ia
t
io
n
T
h
e
SOM
ap
p
r
o
ac
h
was
ap
p
lied
to
an
aly
ze
th
e
d
is
tr
ib
u
tio
n
an
d
r
elativ
e
im
p
o
r
ta
n
ce
o
f
ch
em
ical
co
m
p
o
u
n
d
s
ac
r
o
s
s
f
o
u
r
A
q
u
ila
r
ia
s
p
ec
ies.
Fig
u
r
e
2
illu
s
tr
ate
th
e
SOM
weig
h
t
p
lan
es,
wh
ic
h
d
ep
ict
clu
s
ter
in
g
p
atter
n
s
b
ased
o
n
co
m
p
o
u
n
d
s
1
to
6
.
I
n
t
h
ese
v
is
u
aliza
tio
n
s
,
lig
h
te
r
c
o
lo
r
s
(
e
.
g
.
,
y
ell
o
w
an
d
b
r
ig
h
t
r
ed
)
r
ep
r
esen
t
h
ig
h
er
weig
h
t
v
al
u
es,
in
d
icatin
g
s
tr
o
n
g
er
s
im
ilar
ities
b
etwe
en
in
p
u
t
d
ata
an
d
co
r
r
esp
o
n
d
in
g
clu
s
ter
s
,
wh
ile
d
ar
k
er
co
lo
r
s
(
e.
g
.
,
d
ee
p
r
e
d
an
d
b
lac
k
)
d
en
o
te
wea
k
er
ass
o
ciatio
n
s
.
T
h
e
cl
u
s
ter
in
g
in
Fig
u
r
e
2
r
ev
ea
ls
f
o
u
r
d
is
tin
ct
r
eg
io
n
s
c
o
r
r
esp
o
n
d
in
g
to
th
e
f
o
u
r
A
q
u
i
la
r
ia
s
p
ec
ies.
C
lu
s
ter
s
1
(
A
B
)
an
d
2
(
AM
)
s
h
o
w
lig
h
ter
co
lo
r
s
,
p
ar
ticu
lar
l
y
in
in
p
u
ts
1
(
A)
a
n
d
2
(
B
)
,
i
n
d
icatin
g
a
s
tr
o
n
g
af
f
in
ity
f
o
r
th
ese
co
m
p
o
u
n
d
s
.
C
o
n
v
er
s
ely
,
clu
s
ter
s
3
(
AC
)
an
d
4
(
AS)
d
is
p
lay
d
ar
k
er
g
r
ad
ien
ts
in
th
ese
co
m
p
o
u
n
d
s
,
s
u
g
g
esti
n
g
wea
k
er
ass
o
ciatio
n
s
.
T
h
ese
r
esu
lts
d
e
m
o
n
s
tr
ate
th
at
th
e
SOM
ef
f
e
ctiv
ely
d
if
f
er
en
tiates
s
p
ec
ies
b
y
em
p
h
asizin
g
th
e
im
p
o
r
tan
ce
o
f
s
p
ec
if
ic
f
ea
t
u
r
e
s
,
p
r
o
v
id
in
g
a
h
i
g
h
-
r
eso
l
u
tio
n
v
iew
o
f
s
p
ec
ies
-
co
m
p
o
u
n
d
r
el
atio
n
s
h
ip
s
.
Evaluation Warning : The document was created with Spire.PDF for Python.
I
n
t J Ar
tif
I
n
tell
I
SS
N:
2252
-
8
9
3
8
I
d
en
tifi
ca
tio
n
o
f
ch
emic
a
l m
a
r
ke
r
s
fo
r
s
p
ec
ies d
iffe
r
en
tia
tio
n
in
A
q
u
ila
r
ia
…
(
N
u
r
A
th
ir
a
h
S
ya
fiq
a
h
N
o
r
a
mli)
1343
Fu
r
th
er
in
s
ig
h
ts
ar
e
p
r
o
v
i
d
ed
i
n
T
ab
le
2
,
wh
ich
s
u
m
m
ar
izes
th
e
SOM
co
lo
r
g
r
ad
ien
t
r
e
p
r
e
s
en
tatio
n
s
f
o
r
ea
ch
clu
s
ter
ac
r
o
s
s
all
in
p
u
t
co
m
p
o
u
n
d
s
.
L
ig
h
ter
co
lo
r
s
i
n
d
icate
lar
g
er
o
r
h
ig
h
er
weig
h
t
v
alu
es,
s
ig
n
if
y
in
g
a
clo
s
er
s
im
ilar
ity
to
th
e
in
p
u
t
d
ata
o
r
s
am
p
le.
T
h
ese
lig
h
ter
s
h
ad
es
r
ef
lect
an
ef
f
ec
tiv
e
m
ap
p
in
g
o
f
th
e
in
p
u
t'
s
ch
ar
ac
ter
is
tics
,
s
u
g
g
esti
n
g
th
at
th
e
in
p
u
t
d
ata
p
o
in
t
p
lay
s
a
s
ig
n
if
ican
t
r
o
le
in
th
e
o
v
er
all
p
atter
n
o
r
clu
s
ter
in
g
.
I
n
co
n
t
r
ast,
d
ar
k
er
co
lo
r
s
r
e
p
r
esen
t lo
wer
weig
h
t v
alu
es,
in
d
icatin
g
less
s
im
ilar
ity
to
th
e
in
p
u
t d
ata.
Fo
r
ex
am
p
le,
lo
o
k
i
n
g
at
th
e
'
clu
s
ter
/s
p
ec
ies
'
r
o
ws,
it
ca
n
b
e
o
b
s
er
v
ed
th
at
f
o
r
clu
s
ter
'
1
(
AB
)
'
,
th
e
co
lo
r
g
r
ad
ien
ts
ac
r
o
s
s
th
e
'
I
n
p
u
ts
/
c
o
m
p
o
u
n
d
s
'
co
lu
m
n
s
r
an
g
e
f
r
o
m
y
ello
w
t
o
r
e
d
.
T
h
is
in
d
icate
s
th
at
th
e
in
p
u
t
d
ata
in
co
lu
m
n
s
1
(
A)
an
d
2
(
B
)
h
av
e
a
s
tr
o
n
g
er
s
im
ilar
ity
o
r
h
ig
h
er
weig
h
t
v
alu
e
to
cl
u
s
ter
1
(
AB
)
.
T
h
e
y
ello
w
co
lo
r
in
g
s
u
g
g
ests
th
at
t
h
e
in
p
u
t i
n
th
o
s
e
co
lu
m
n
s
is
m
o
r
e
ef
f
ec
tiv
ely
m
ap
p
ed
to
t
h
at
clu
s
ter
.
I
n
co
n
tr
ast,
f
o
r
clu
s
ter
'
3
(
AC
)
'
,
th
e
co
lo
r
s
ar
e
p
r
ed
o
m
in
an
t
ly
d
ar
k
er
,
r
a
n
g
in
g
f
r
o
m
o
r
a
n
g
e
to
b
lack
ac
r
o
s
s
th
e
co
lu
m
n
s
.
T
h
is
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ig
n
if
ies
th
at
th
e
in
p
u
t
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ata
in
th
o
s
e
co
lu
m
n
s
h
av
e
a
s
m
aller
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r
lo
wer
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h
t
v
alu
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d
ar
e
less
s
im
ilar
to
clu
s
ter
3
(
AC
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,
m
ea
n
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g
th
e
m
a
p
p
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g
is
n
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t
as
ef
f
ec
tiv
e
c
o
m
p
ar
e
d
to
clu
s
ter
1
(
AB
)
.
B
y
r
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d
in
g
th
e
co
l
o
r
r
ep
r
esen
tatio
n
s
,
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n
e
ca
n
q
u
ick
ly
id
e
n
tify
wh
ich
in
p
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t
d
ata
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r
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o
m
p
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n
d
s
ar
e
m
o
s
t
clo
s
ely
ass
o
ciate
d
with
ea
ch
clu
s
ter
o
r
s
p
ec
ies.
Fig
u
r
e
2
.
SOM
weig
h
t p
la
n
e
T
ab
le
2
.
Su
m
m
a
r
y
SOM
co
lo
r
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r
esen
tatio
n
s
C
l
u
st
e
r
/
s
p
e
c
i
e
s
I
n
p
u
t
s
/
c
o
m
p
o
u
n
d
s
1
(
A
)
2
(
B
)
3
(
C
)
4
(
D
)
5
(
E)
6
(
F
)
1
(
A
B
)
2
(
A
M
)
3
(
A
C
)
4
(
A
S
)
T
h
e
s
i
g
n
i
f
ic
a
n
ce
o
f
th
e
s
e
c
lu
s
t
e
r
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g
p
a
t
t
er
n
s
i
s
f
u
r
t
h
er
ex
p
l
o
r
e
d
in
F
i
g
u
r
e
3
,
w
h
ic
h
p
r
e
s
e
n
t
s
t
h
e
r
a
n
k
i
n
g
a
b
u
n
d
an
c
e
o
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c
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ch
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i
c
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l
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p
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u
n
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ac
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s
s
a
l
l
s
p
e
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i
e
s
.
T
h
i
s
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s
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a
l
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io
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r
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t
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s
h
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a
ti
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tr
a
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a
t
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r
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F
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o
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ch
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p
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s
.
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o
m
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n
d
s
B
,
C
,
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,
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E
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a
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ig
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i
a
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s
s
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if
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c
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t
m
a
r
k
e
r
s
i
n
s
p
ec
i
e
s
d
i
f
f
e
r
en
t
i
a
t
io
n
.
T
h
e
c
o
n
s
i
s
t
e
n
t
h
ig
h
co
n
ce
n
t
r
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t
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o
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e
c
o
m
p
o
u
n
d
s
,
p
a
r
t
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l
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l
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i
n
s
p
e
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i
e
s
A
B
a
n
d
A
M
f
o
r
B
an
d
C
,
an
d
in
s
p
e
c
i
e
s
A
C
a
n
d
A
S
f
o
r
D
an
d
E
,
s
u
g
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e
s
t
s
th
a
t
t
h
e
y
co
n
tr
i
b
u
t
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s
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g
n
i
f
i
ca
n
t
ly
t
o
th
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o
v
er
a
l
l
c
h
e
m
i
ca
l
c
o
m
p
o
s
i
t
i
o
n
a
n
d
m
a
y
p
l
ay
i
m
p
o
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an
t
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o
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g
i
c
a
l
o
r
e
co
l
o
g
i
c
a
l
r
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l
e
s
.
T
h
i
s
s
t
ab
i
l
i
t
y
a
cr
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p
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o
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r
r
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le
v
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e
i
n
d
e
t
e
r
m
in
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p
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d
i
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t
r
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u
t
i
o
n
an
d
d
i
f
f
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r
e
n
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i
a
t
io
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.
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ab
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ap
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p
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i
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en
t
i
n
s
p
ec
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es
AB
a
n
d
A
M,
w
h
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s
p
e
cies
A
C
a
n
d
AS
s
h
o
w
r
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d
u
c
ed
le
v
els,
f
u
r
t
h
e
r
s
u
p
p
o
r
ti
n
g
t
h
e
d
is
ti
n
ct
c
h
e
m
ic
a
l
p
r
o
f
iles
o
f
t
h
es
e
s
p
e
cies
.
S
im
ila
r
l
y
,
c
o
m
p
o
u
n
d
F
s
h
o
ws
lim
ited
ab
u
n
d
an
ce
a
cr
o
s
s
all
clu
s
ter
s
,
s
u
g
g
esti
n
g
th
at
it
m
ay
h
av
e
a
less
s
ig
n
if
ican
t
r
o
le
in
d
if
f
er
en
tiatin
g
s
p
ec
ies
co
m
p
a
r
ed
to
th
e
o
th
er
c
o
m
p
o
u
n
d
s
.
T
h
is
h
ier
ar
ch
ical
r
e
p
r
esen
ta
tio
n
o
f
c
o
m
p
o
u
n
d
ab
u
n
d
a
n
ce
allo
ws
f
o
r
th
e
id
e
n
tific
atio
n
o
f
p
o
ten
tial
“sig
n
a
tu
r
e”
co
m
p
o
u
n
d
s
th
at
ca
n
b
e
lin
k
ed
to
s
p
ec
i
f
ic
s
p
ec
ies
o
r
g
r
o
u
p
s
o
f
s
p
ec
ies,
p
r
o
v
id
i
n
g
v
alu
ab
le
in
s
ig
h
ts
f
o
r
f
u
tu
r
e
ap
p
licatio
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s
in
ec
o
lo
g
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m
o
n
ito
r
in
g
o
r
p
h
ar
m
ac
o
l
o
g
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ex
p
l
o
r
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n
.
T
h
e
im
p
licatio
n
s
o
f
th
ese
f
in
d
in
g
s
ar
e
s
u
b
s
tan
tial.
T
h
e
SOM
h
as
d
em
o
n
s
tr
ated
its
ef
f
ec
tiv
en
ess
as
a
p
o
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f
u
l
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o
r
clu
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ter
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ch
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ical
d
atasets
,
en
ab
lin
g
th
e
id
e
n
tific
atio
n
o
f
k
ey
p
atter
n
s
an
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ip
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lik
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n
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er
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i
n
g
ch
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v
ar
iatio
n
ca
n
h
av
e
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o
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ical,
ec
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o
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ic,
a
n
d
p
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r
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r
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o
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s
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ticu
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B
,
C
,
D,
an
d
E
,
as
co
n
s
is
ten
t
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d
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ig
n
if
ican
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u
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r
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s
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ie
s
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ig
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tab
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ct
o
n
s
p
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d
i
f
f
er
en
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.
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h
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co
m
p
o
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n
d
s
lik
ely
p
lay
cr
itical
r
o
les
in
d
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in
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e
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o
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ar
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On
th
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m
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o
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lik
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A
an
d
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ic
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atter
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iatio
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war
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u
r
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.
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h
e
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o
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d
is
tr
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u
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n
s
o
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th
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co
m
p
o
u
n
d
s
in
Fig
u
r
e
4
p
r
o
v
id
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ad
d
itio
n
al
ev
id
en
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f
o
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th
e
clu
s
ter
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atter
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s
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d
c
o
m
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d
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ig
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o
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s
er
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i
n
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SOM
an
aly
s
is
.
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ec
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ically
,
c
o
m
p
o
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B
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o
n
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ates
its
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ig
h
est
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s
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ter
1
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ak
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it
a
d
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is
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ter
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ile
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ter
4
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is
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ce
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tlier
s
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ter
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2
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d
3
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o
m
e
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eg
r
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o
f
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ar
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,
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icatin
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p
o
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tial
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s
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ch
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ical
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r
o
p
er
ties
b
etwe
en
s
p
ec
ies
as
s
o
ciate
d
with
th
ese
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s
ter
s
.
Ho
wev
er
,
its
r
o
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ap
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r
s
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in
itiv
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m
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ar
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t
o
o
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e
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o
m
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o
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n
d
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.
Fig
u
r
e
3
.
R
an
k
in
g
ab
u
n
d
a
n
ce
(
%)
f
o
r
all
s
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Fig
u
r
e
4
.
B
o
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t d
is
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o
f
th
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m
p
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d
s
f
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r
all
s
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ies
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p
ea
k
v
alu
es
in
clu
s
ter
2
,
with
m
in
im
al
to
n
o
o
v
er
lap
with
o
th
e
r
clu
s
ter
s
.
I
ts
co
n
s
is
ten
tly
lo
w
v
alu
es
in
clu
s
ter
1
u
n
d
er
s
co
r
e
its
s
tr
o
n
g
r
ep
r
esen
tatio
n
i
n
cl
u
s
ter
2
,
m
ak
in
g
it
a
p
iv
o
tal
m
ar
k
e
r
f
o
r
th
is
clu
s
ter
.
C
o
m
p
o
u
n
d
E
also
f
o
llo
ws
a
p
atter
n
s
im
ilar
to
c
o
m
p
o
u
n
d
D,
with
its
h
ig
h
est
v
alu
es
co
n
ce
n
tr
ated
in
clu
s
ter
2
,
m
o
d
e
r
ate
co
n
ce
n
tr
a
tio
n
s
in
clu
s
ter
3
,
an
d
lo
wer
l
ev
els
in
clu
s
ter
4
.
T
h
is
d
is
tr
i
b
u
tio
n
in
d
icate
s
its
s
h
ar
ed
y
et
s
p
ec
if
ic
r
o
le
ac
r
o
s
s
ce
r
tain
clu
s
ter
s
,
p
ar
ticu
lar
ly
in
d
if
f
er
e
n
tiatin
g
clu
s
ter
2
f
r
o
m
clu
s
ter
s
3
an
d
4
.
T
h
e
d
is
tin
ct
co
n
ce
n
tr
atio
n
g
r
a
d
ien
ts
o
f
c
o
m
p
o
u
n
d
s
C
,
D,
an
d
E
c
o
llectiv
ely
u
n
d
er
s
co
r
e
th
eir
s
tr
o
n
g
er
r
o
les
in
d
ef
in
in
g
th
e
c
h
em
ical
p
r
o
f
ile
s
o
f
s
p
ec
ies
ass
o
ciate
d
with
clu
s
ter
2
,
co
m
p
ar
e
d
to
c
o
m
p
o
u
n
d
B
.
T
h
er
e
f
o
r
e,
c
o
m
p
o
u
n
d
s
C
,
D,
an
d
E
a
r
e
m
o
r
e
s
ig
n
if
ican
t
t
h
an
c
o
m
p
o
u
n
d
B
,
o
win
g
to
t
h
eir
g
r
ea
te
r
v
ar
iatio
n
,
clu
s
ter
s
p
ec
if
icity
,
co
n
s
is
ten
t
d
is
tr
ib
u
tio
n
s
,
an
d
s
tr
o
n
g
er
ca
p
ac
ity
to
d
is
tin
g
u
is
h
all
A
q
u
ila
r
ia
s
p
ec
ies.
T
h
ese
f
in
d
in
g
s
,
s
u
p
p
o
r
ted
b
y
th
e
SOM
v
is
u
ali
za
tio
n
an
d
b
o
x
p
lo
t
an
aly
s
is
,
p
r
o
v
id
e
cr
itical
in
s
ig
h
ts
in
to
th
e
d
if
f
er
en
tial
r
o
les
o
f
ch
em
ical
co
m
p
o
u
n
d
s
in
s
p
ec
ies
d
if
f
er
en
tiatio
n
,
e
m
p
h
a
s
izin
g
th
eir
p
o
ten
tial
as
b
io
l
o
g
ical
m
ar
k
er
s
in
ec
o
lo
g
ical
an
d
p
h
ar
m
ac
o
lo
g
ical
co
n
tex
ts
.
T
h
e
id
en
tifie
d
co
m
p
o
u
n
d
s
,
p
ar
ticu
lar
ly
C
,
D,
an
d
E
,
p
lay
p
iv
o
tal
r
o
les
in
d
ef
in
in
g
th
e
ch
em
ical
p
r
o
f
iles
o
f
th
e
s
tu
d
ied
A
q
u
ila
r
ia
s
p
ec
ies.
C
o
m
p
o
u
n
d
s
C
an
d
D,
b
o
th
s
esq
u
iter
p
en
o
id
s
,
ar
e
k
n
o
wn
f
o
r
th
eir
co
n
tr
ib
u
tio
n
s
to
th
e
d
is
tin
ctiv
e
ar
o
m
a
an
d
r
esin
q
u
ality
o
f
ag
ar
wo
o
d
[
2
9
]
.
T
h
eir
h
ig
h
a
b
u
n
d
an
ce
in
s
p
ec
ies
AM
an
d
AC
s
u
g
g
ests
a
s
tr
o
n
g
ec
o
lo
g
ical
ad
ap
tatio
n
to
e
n
v
ir
o
n
m
e
n
tal
s
tr
ess
o
r
s
.
Fu
r
th
er
m
o
r
e,
c
o
m
p
o
u
n
d
E
,
an
o
th
er
s
esq
u
iter
p
e
n
o
id
,
h
as
b
ee
n
lin
k
e
d
to
th
e
d
ef
en
s
e
m
ec
h
an
is
m
s
o
f
p
lan
ts
,
in
d
icatin
g
its
s
ig
n
if
ican
ce
in
p
r
o
tectin
g
A
q
u
ila
r
ia
s
p
ec
ies
ag
ain
s
t
p
ath
o
g
en
ic
t
h
r
ea
ts
[
4
]
,
[
1
0
]
,
[
3
0
]
.
T
h
ese
f
in
d
in
g
s
ar
e
co
n
s
is
ten
t
with
p
r
io
r
s
tu
d
ies
em
p
h
asizin
g
th
e
r
o
le
o
f
s
esq
u
iter
p
e
n
o
id
s
in
p
lan
t
r
esil
ien
ce
an
d
th
eir
u
tili
ty
in
p
h
ar
m
ac
o
lo
g
ica
l
ap
p
licatio
n
s
[
8
]
.
B
y
h
ig
h
li
g
h
tin
g
th
ese
co
m
p
o
u
n
d
s
'
ec
o
lo
g
ical
an
d
b
io
lo
g
ical
r
e
lev
an
ce
,
th
e
s
tu
d
y
u
n
d
er
s
co
r
es th
eir
im
p
o
r
tan
ce
i
n
s
p
ec
ies d
if
f
er
en
tiatio
n
a
n
d
p
o
ten
tial in
d
u
s
tr
ial
u
s
e.
T
h
ese
f
in
d
in
g
s
ar
e
co
n
s
is
ten
t
with
r
ec
en
t
s
tu
d
ies
th
at
h
av
e
ap
p
lied
SOM
to
ex
p
l
o
r
e
th
e
ch
em
ical
d
iv
er
s
ity
am
o
n
g
A
q
u
ila
r
ia
s
p
ec
ies,
em
p
h
asizin
g
th
e
r
elatio
n
s
h
ip
s
b
etwe
en
ch
em
ical
co
m
p
o
u
n
d
s
an
d
t
h
eir
b
io
lo
g
ical
s
ig
n
if
ican
ce
.
T
h
e
SOM
ap
p
r
o
ac
h
h
as
p
r
o
v
en
i
n
s
tr
u
m
en
tal
in
id
e
n
tify
in
g
ch
em
ical
m
ar
k
er
s
th
at
d
if
f
er
en
tiate
s
p
ec
ies,
p
r
o
v
id
in
g
v
alu
a
b
le
in
s
ig
h
ts
in
to
th
eir
ec
o
lo
g
ical
r
o
les,
ev
o
lu
ti
o
n
ar
y
ad
a
p
tatio
n
s
,
a
n
d
p
o
ten
tial
ap
p
licatio
n
s
in
f
iel
d
s
s
u
ch
as
p
h
ar
m
ac
o
l
o
g
y
a
n
d
co
n
s
er
v
atio
n
[
1
3
]
,
[
1
4
]
,
[
2
6
]
,
[
2
7
]
,
[
3
1
]
.
T
h
e
v
er
s
atility
o
f
SOM
in
h
an
d
lin
g
co
m
p
lex
d
atasets
u
n
d
er
s
co
r
es
its
im
p
o
r
tan
ce
as
a
p
o
wer
f
u
l
to
o
l
f
o
r
a
d
v
an
ci
n
g
r
esear
ch
in
ch
em
ical
ec
o
lo
g
y
an
d
s
u
s
tain
ab
le
n
atu
r
al
r
eso
u
r
ce
m
an
ag
em
en
t.
B
y
co
m
b
in
in
g
SOM
v
is
u
aliza
tio
n
s
with
q
u
an
titati
v
e
an
aly
s
es,
s
u
ch
as
b
o
x
p
lo
ts
,
r
esear
ch
er
s
ca
n
ac
h
iev
e
a
co
m
p
r
eh
en
s
iv
e
u
n
d
er
s
tan
d
i
n
g
o
f
co
m
p
o
u
n
d
-
s
p
ec
if
ic
v
ar
iatio
n
s
an
d
th
eir
b
i
o
lo
g
ical
im
p
licatio
n
s
.
As
a
w
h
o
le,
th
ese
in
s
ig
h
ts
n
o
t
o
n
ly
c
o
n
f
ir
m
t
h
e
ef
f
ec
ti
v
en
ess
o
f
th
e
SOM
m
eth
o
d
o
lo
g
y
in
id
e
n
tify
in
g
ch
em
ica
l
m
ar
k
er
s
b
u
t
also
em
p
h
asize
its
p
o
ten
tial
f
o
r
f
u
t
u
r
e
s
tu
d
ies
aim
ed
at
en
h
an
cin
g
o
u
r
u
n
d
er
s
tan
d
i
n
g
o
f
s
p
ec
ie
s
d
if
f
er
en
tiatio
n
an
d
its
wid
er
im
p
licatio
n
s
in
ec
o
lo
g
y
,
p
h
ar
m
ac
o
l
o
g
y
,
an
d
c
o
n
s
er
v
atio
n
.
4.
CO
NCLU
SI
O
N
T
h
is
s
tu
d
y
in
v
esti
g
ated
th
e
ch
em
ical
d
iv
er
s
ity
o
f
ess
en
tial
o
ils
f
r
o
m
f
o
u
r
A
q
u
ila
r
ia
s
p
ec
ies
(
AB
,
AM
,
AC
,
AS)
u
s
in
g
SOM
to
id
en
tify
s
ig
n
i
f
ican
t
co
m
p
o
u
n
d
s
f
o
r
s
p
ec
ies
d
if
f
er
e
n
tiatio
n
.
T
h
e
a
n
aly
s
is
r
ev
ea
led
t
h
at
s
p
ec
if
ic
co
m
p
o
u
n
d
s
wer
e
h
ig
h
ly
s
ig
n
if
ican
t
in
d
is
tin
g
u
is
h
in
g
b
etwe
en
s
p
ec
ies,
with
s
o
m
e
s
h
o
win
g
s
p
ec
ies
-
s
p
ec
if
ic
p
atter
n
s
,
wh
ile
o
th
er
s
h
a
d
lim
i
ted
r
elev
a
n
ce
.
Am
o
n
g
th
e
i
d
en
tifie
d
m
ar
k
er
s
,
c
o
m
p
o
u
n
d
s
C
,
D,
an
d
E
wer
e
th
e
m
o
s
t
s
ig
n
if
ican
t
f
o
r
d
is
ti
n
g
u
is
h
in
g
s
p
ec
ies,
with
c
o
m
p
o
u
n
d
A
s
h
o
win
g
a
s
p
ec
ies
-
s
p
ec
if
ic
ab
u
n
d
an
ce
in
AB
an
d
AM
,
wh
ile
c
o
m
p
o
u
n
d
F
d
e
m
o
n
s
tr
ated
lim
ited
s
ig
n
if
ican
ce
ac
r
o
s
s
all
s
p
ec
ies.
T
h
ese
f
in
d
in
g
s
p
r
o
v
i
d
e
v
alu
ab
le
in
s
ig
h
ts
in
to
th
e
b
io
ch
em
ical
d
iv
er
s
ity
o
f
A
q
u
ila
r
ia
,
o
f
f
er
in
g
r
o
b
u
s
t
s
u
p
p
o
r
t
f
o
r
ec
o
lo
g
ical
co
n
s
er
v
atio
n
,
s
u
s
tain
ab
le
ag
ar
wo
o
d
m
a
n
ag
em
en
t,
an
d
t
h
e
d
ev
elo
p
m
en
t
o
f
p
h
ar
m
ac
o
l
o
g
ical
ap
p
licatio
n
s
.
B
y
d
em
o
n
s
tr
atin
g
SOM'
s
ef
f
ec
tiv
en
ess
in
an
aly
zin
g
co
m
p
lex
ch
em
ical
d
atasets
,
th
is
r
esear
ch
estab
li
s
h
es
a
r
o
b
u
s
t
f
r
am
ewo
r
k
f
o
r
ch
em
o
tax
o
n
o
m
y
a
n
d
h
ig
h
lig
h
ts
its
p
o
ten
tial
f
o
r
b
r
o
ad
e
r
ap
p
licatio
n
s
.
Fu
tu
r
e
s
tu
d
ies
s
h
o
u
ld
ex
am
in
e
h
o
w
en
v
ir
o
n
m
en
tal
f
ac
to
r
s
in
f
lu
en
c
e
ch
em
ical
m
ar
k
e
r
d
is
tr
ib
u
tio
n
an
d
ex
p
an
d
SOM
an
aly
s
is
to
o
th
er
p
lan
t
s
p
ec
ies
with
in
tr
icate
ch
em
ical
p
r
o
f
i
les.
T
h
is
ap
p
r
o
ac
h
n
o
t
o
n
ly
ad
v
an
ce
s
th
e
s
u
s
tain
ab
le
u
s
e
an
d
co
n
s
er
v
atio
n
o
f
ag
ar
wo
o
d
b
u
t
also
u
n
lo
ck
s
its
b
r
o
a
d
er
ec
o
lo
g
ical
an
d
m
ed
icin
al
p
o
ten
tial.
ACK
NO
WL
E
DG
M
E
N
T
S
T
h
e
au
th
o
r
s
g
r
atef
u
lly
ac
k
n
o
wled
g
e
th
e
f
in
an
cial
s
u
p
p
o
r
t
p
r
o
v
id
ed
b
y
th
e
Mi
n
is
tr
y
o
f
Hig
h
er
E
d
u
ca
tio
n
Ma
lay
s
ia
th
r
o
u
g
h
t
h
e
Fu
n
d
am
en
tal
R
esear
ch
Gr
a
n
t
Sch
em
e
(
FR
GS)
.
Sp
ec
ial
t
h
an
k
s
ar
e
ex
ten
d
ed
to
th
e
Ad
v
an
ce
d
Sig
n
al
Pro
c
ess
in
g
R
esear
ch
I
n
ter
est
Gr
o
u
p
f
o
r
th
eir
co
n
s
tr
u
ctiv
e
f
ee
d
b
ac
k
a
n
d
o
n
g
o
in
g
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re
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d
h
e
r
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c
h
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g
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g
(Ho
n
s)
in
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e
c
tro
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g
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n
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rin
g
fro
m
Un
iv
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Tek
n
o
l
o
g
i
M
ARA
(UiTM
),
S
h
a
h
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m
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a
lay
sia
,
in
2
0
2
2
.
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u
rre
n
tl
y
,
sh
e
is
p
u
rsu
in
g
p
o
st
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ra
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a
te
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a
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th
e
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c
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lt
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tri
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g
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rin
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,
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iv
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o
l
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g
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M
ARA
(Ui
TM
),
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h
a
h
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m
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lay
sia
.
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r
re
se
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rc
h
in
tere
sts
fo
c
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s
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n
a
d
v
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sig
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l
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m
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g
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Sh
e
c
a
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b
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c
o
n
tac
ted
a
t
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m
a
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:
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id
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sy
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k
iraa
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0
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il
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c
o
m
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so
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f.
Ir
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a
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l
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fro
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v
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Tek
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l
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sia
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h
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is
c
u
rre
n
tl
y
a
se
n
i
o
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lec
tu
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t
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a
c
u
lt
y
o
f
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tri
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l
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g
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rin
g
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n
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Tek
n
o
l
o
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M
ARA
,
S
h
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h
Ala
m
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M
a
lay
sia
.
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r
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se
a
rc
h
in
tere
sts
in
c
lu
d
e
a
d
v
a
n
c
e
d
sig
n
a
l
p
r
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c
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ss
in
g
a
n
d
a
rti
fici
a
l
in
telli
g
e
n
c
e
.
Sh
e
c
a
n
b
e
c
o
n
tac
ted
a
t
e
m
a
il
:
n
u
rlaila0
5
8
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it
m
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e
d
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m
y
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so
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f.
Ts.
Dr
.
Z
a
k
i
a
h
M
o
h
d
Yuso
ff
re
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e
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d
h
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r
b
a
c
h
e
lo
r’s
d
e
g
re
e
i
n
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tri
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a
l
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g
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n
d
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h
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in
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lec
tri
c
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l
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g
in
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g
fr
o
m
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n
iv
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o
l
o
g
i
M
ARA
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)
,
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h
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h
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m
,
in
2
0
0
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a
n
d
2
0
1
4
,
re
sp
e
c
ti
v
e
ly
.
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h
e
is
a
se
n
io
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lec
tu
re
r
wh
o
is
c
u
rre
n
tl
y
wo
rk
i
n
g
a
t
F
a
c
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lt
y
o
f
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e
c
tri
c
a
l
En
g
in
e
e
rin
g
,
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n
iv
e
rsiti
Tek
n
o
lo
g
i
M
ARA
,
S
h
a
h
Ala
m
,
M
a
lay
sia
.
In
M
e
i
2
0
1
4
,
s
h
e
jo
i
n
e
d
Un
i
v
e
rsiti
Tek
n
o
l
o
g
i
M
ARA
a
s
a
tea
c
h
in
g
sta
ff.
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r
m
a
jo
r
in
tere
sts
in
c
l
u
d
e
p
r
o
c
e
ss
c
o
n
tr
o
l,
sy
ste
m
i
d
e
n
ti
fica
ti
o
n
,
a
n
d
e
ss
e
n
ti
a
l
o
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l
e
x
trac
ti
o
n
sy
ste
m
s
.
Sh
e
c
a
n
b
e
c
o
n
tac
ted
a
t
e
m
a
il
:
z
a
k
iah
9
0
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8
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i
tm.e
d
u
.
m
y
.
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f.
Ir
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Ts.
Dr
.
H
a
ji
M
o
h
d
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sir
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ib
re
c
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d
t
h
e
d
e
g
re
e
in
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e
c
tri
c
a
l
En
g
i
n
e
e
rin
g
fr
o
m
th
e
Un
i
v
e
rsity
o
f
Tas
m
a
n
ia,
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b
a
rt,
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stra
li
a
,
t
h
e
M
.
S
c
.
d
e
g
re
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in
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n
tro
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g
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n
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g
fr
o
m
S
h
e
ffield
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n
iv
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rsit
y
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it
e
d
Ki
n
g
d
o
m
,
a
n
d
t
h
e
P
h
.
D.
d
e
g
re
e
in
in
stru
m
e
n
tati
o
n
fro
m
t
h
e
Un
iv
e
rsity
o
f
M
a
n
c
h
e
ste
r
In
sti
tu
te
o
f
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c
ien
c
e
a
n
d
Tec
h
n
o
l
o
g
y
,
Un
it
e
d
Ki
n
g
d
o
m
.
He
is
c
u
rre
n
t
ly
a
n
h
o
n
o
ra
r
y
p
r
o
fe
ss
o
r
a
t
Un
iv
e
rsiti
Tek
n
o
l
o
g
i
M
ARA
(UiTM
)
,
M
a
lay
sia
.
He
h
e
a
d
s
t
h
e
Ad
v
a
n
c
e
d
S
ig
n
a
l
P
r
o
c
e
ss
in
g
Re
se
a
rc
h
In
tere
st
G
ro
u
p
,
F
a
c
u
lt
y
o
f
El
e
c
tri
c
a
l
En
g
in
e
e
ri
n
g
,
Un
i
v
e
rsiti
Tek
n
o
lo
g
i
M
ARA
.
He
h
a
s
b
e
e
n
a
v
e
ry
a
c
ti
v
e
re
se
a
rc
h
e
r
a
n
d
o
v
e
r
th
e
y
e
a
rs
h
a
d
a
u
th
o
r
a
n
d
/o
r
c
o
-
a
u
th
o
r
m
a
n
y
p
a
p
e
rs
p
u
b
li
sh
e
d
in
re
fe
re
e
d
jo
u
r
n
a
ls an
d
c
o
n
fe
re
n
c
e
s.
He
c
a
n
b
e
c
o
n
tac
ted
a
t
e
m
a
il
:
d
r.
n
a
sir@u
it
m
.
e
d
u
.
m
y
.
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