Human Developmental Toxicants - Part 11 ppt

335

Appendix I

Physicochemical Parameter
Histograms
6005004003002001000
15
10
5
0
Molecular weight
Frequency
Human developmental toxicants - molecular weight
Positive
Negative
6005004003002001000
15
10
5
0
Frequency
Human growth retardation - molecular weight
Molecular weight

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336

Human Developmental Toxicants
6005004003002001000
15
10
5
0
Human death - molecular weight
Frequency
Molecular weight
Positive
Negative
6005004003002001000
15
10
5
0
Human malformation - molecular weight
Frequency
Molecular weight
Positive
Negative
Positive
Negative
6005004003002001000
15
10
5
0
Molecular weight
Human functional deficit - molecular weight

Frequency

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Physicochemical Parameter Histograms

337
50045040035030025020015010050
10
5
0
Human developmental toxicants - molecular volume
Frequency
Molecular volume
50045040035030025020015010050
10
5
0
Human growth retardation - molecular volume
Positive
Negative
Frequency
Molecular volume
50045040035030025020015010050
10
5
0
Frequency
Human death - molecular volume

Positive
Negative
Molecular volume

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338

Human Developmental Toxicants
50045040035030025020015010050
10
5
0
Molecular volume
Positive
Negative
Human malformation - molecular volume
Frequency
Positive
Negative
50045040035030025020015010050
10
5
0
Human functional deficit - molecular volume
Molecular volume
Frequency
1.521.441.361.281.201.121.040.960.880.80
8

7
6
5
4
3
2
1
0
Human developmental toxicants - density
Frequency
Density

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Physicochemical Parameter Histograms

339
Negative
1.521.441.361.281.201.121.040.960.880.80
8
7
6
5
4
3
2
1
0
Human growth retardation - density

Frequency
Density
Positive
Positive
1.521.441.361.281.201.121.040.960.880.80
8
7
6
5
4
3
2
1
0
Human death - density
Frequency
Density
Negative
Positive
Negative
1.521.441.361.281.201.121.040.960.880.80
8
7
6
5
4
3
2
1
0

Human malformation - density
Frequency
Density

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340

Human Developmental Toxicants
Positive
Negative
1.521.44
8
7
6
5
4
3
2
1
0
Human functional deficit - density
Frequency
1.361.281.201.121.040.960.880.80
Density
7006005004003002001000
9
8
7

6
5
4
3
2
1
0
Human developmental toxicants - surface area
Frequency
Surface area
7006005004003002001000
9
8
7
6
5
4
3
2
1
0
Human growth retardation - surface area
Frequency
Surface area
Positive
Negative

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Physicochemical Parameter Histograms

341
7006005004003002001000
9
8
7
6
5
4
3
2
1
0
Frequency
Human death - surface area
Surface area
Positive
Negative
7006005004003002001000
9
8
7
6
5
4
3
2
1
0

Human malformation - surface area
Frequency
Surface area
Positive
Negative
7006005004003002001000
9
8
7
6
5
4
3
2
1
0
Human functional deficit - surface area
Positive
Negative
Frequency
Surface area

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342

Human Developmental Toxicants
6420
−2−4−6

15
10
5
0
LogP
Human developmental toxicants - LogP
Frequency
−12 −10 −8
6420
−2−4−6−8−10−12
15
10
5
0
LogP
Human growth retardation - LogP
Positive
Negative
Frequency
6420
−2
−4
−6
−8
−10
−12
15
10
5
0

LogP
Human death - LogP
Frequency
Positive
Negative

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Physicochemical Parameter Histograms

343
6420
−2
−4−6
−8
−10
−12
15
10
5
0
LogP
Human malformation - LogP
Positive
Negative
Frequency
6
4
2

0−2
−4
−6
−8
−10
−12
15
10
5
0
LogP
Positive
Negative
Human functional deficit - LogP
Frequency
20100
8
7
6
5
4
3
2
1
0
Frequency
Human developmental toxicants - HLB
HLB

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© 2007 by Taylor & Francis Group, LLC

344

Human Developmental Toxicants
20100
8
7
6
5
4
3
2
1
0
Frequency
Human growth retardation - HLB
Positive
Negative
HLB
20
10
0
8
7
6
5
4
3
2

1
0
Positive
Negative
Frequency
Human death - HLB
HLB
20100
8
7
6
5
4
3
2
1
0
Positive
Negative
Human malformation - HLB
Frequency
HLB

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Physicochemical Parameter Histograms

345
20100

8
7
6
5
4
3
2
1
0
HLB
Positive
Negative
Human functional deficit - HLB
Frequency
403020
10
5
0
Frequency
Solubility parameter
Human developmental toxicants - solubility parameter
403020
10
5
0
Positive
Negative
Human growth retardation - solubility parameter
Frequency
Solubility parameter

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346

Human Developmental Toxicants
403020
10
5
0
Positive
Negative
Human death - solubility parameter
Frequency
Solubility parameter
403020
10
5
0
Positive
Negative
Human malformation - solubility parameter
Frequency
Solubility parameter
403020
10
5
0
Frequency

Positive
Negative
Human functional deficit - solubility parameter
Solubility parameter

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Physicochemical Parameter Histograms

347
252015
8
7
6
5
4
3
2
1
0
Human developmental toxicants - dispersion
Frequency
Dispersion
252015
8
7
6
5
4

3
2
1
0
Positive
Negative
Human growth retardation - dispersion
Frequency
Dispersion
252015
8
7
6
5
4
3
2
1
0
Human death - dispersion
Positive
Negative
Frequency
Dispersion

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348

Human Developmental Toxicants
252015
8
7
6
5
4
3
2
1
0
Positive
Negative
Frequency
Dispersion
Human malformation - dispersion
252015
8
7
6
5
4
3
2
1
0
Positive
Negative
Frequency
Dispersion

Human functional deficit - dispersion
1614121086420
10
5
0
Human developmental toxicants - polarity
Frequency
Polarity

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Physicochemical Parameter Histograms

349
1614121086420
10
5
0
Positive
Negative
Human growth retardation - polarity
Frequency
Polarity
1614121086420
10
5
0
Positive
Negative

Frequency
Polarity
Human death - polarity
1614121086420
10
5
0
Human malformation - polarity
Positive
Negative
Frequency
Polarity

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350

Human Developmental Toxicants
1614121086420
10
5
0
Positive
Negative
Frequency
Polarity
Human functional deficit - polarity
3020100
10

5
0
Frequency
Human developmental toxicants - hydrogen bonding
Hydrogen bonding
3020100
10
5
0
Positive
Negative
Human growth retardation - hydrogen bonding
Hydrogen bonding
Frequency

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Physicochemical Parameter Histograms

351
3020100
10
5
0
Positive
Negative
Frequency
Hydrogen bonding
Human death - hydrogen bonding

3020100
10
5
0
Positive
Negative
Frequency
Human malformation - hydrogen bonding
Hydrogen bonding
3020100
10
5
0
Frequency
Positive
Negative
Human functional deficit - hydrogen bonding
Hydrogen bonding

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352

Human Developmental Toxicants
76543210
20
10
0
Frequency

H-bond acceptor
Human developmental toxicants - H-bond acceptor
76543210
20
10
0
Positive
Negative
Human growth retardation - H-bond acceptor
Frequency
H-bond acceptor
76543210
20
10
0
Positive
Negative
Human death - H-bond acceptor
Frequency
H-bond acceptor

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Physicochemical Parameter Histograms

353
76543210
20
10

0
Positive
Negative
Frequency
H-bond acceptor
Human malformation - H-bond acceptor
76543210
20
10
0
Positive
Negative
Frequency
H-bond acceptor
Human functional deficit - H-bond acceptor
4.54.03.53.02.52.01.51.00.50.0
20
10
0
H-bond donor
Human developmental toxicants - H-bond donor
Frequency

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354

Human Developmental Toxicants
4.54.03.53.02.52.01.51.00.50.0

20
10
0
Positive
Negative
Human growth retardation - H-bond donor
Frequency
H-bond donor
4.54.03.53.02.52.01.51.00.50.0
20
10
0
Positive
Negative
H-bond donor
Frequency
Human death - H-bond donor
4.54.03.53.02.52.01.51.00.50.0
20
10
0
Frequency
Positive
Negative
Human malformation - H-bond donor
H-bond donor

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Physicochemical Parameter Histograms

355
4.54.03.53.02.52.01.51.00.50.0
20
10
0
Frequency
Positive
Negative
Human functional deficit - H-bond donor
H-bond donor
1009080706050403020100
8
7
6
5
4
3
2
1
0
Human developmental toxicants - % hydrophilic surface area
Frequency
% Hydrophilic surface area
1009080706050403020100
8
7
6
5

4
3
2
1
0
Human growth retardation - % hydrophilic surface area
Positive
Negative
Frequency
% Hydrophilic surface area

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356

Human Developmental Toxicants
1009080706050403020100
8
7
6
5
4
3
2
1
0
Frequency
Positive
Negative

% Hydrophilic surface area
Human death -% hydrophilic surface area
1009080706050403020100
8
7
6
5
4
3
2
1
0
Frequency
Positive
Negative
% Hydrophilic surface area
Human malformation - % hydrophilic surface area
1009080706050403020100
8
7
6
5
4
3
2
1
0
Positive
Negative
Frequency

Human functional deficit - % hydrophilic surface area
% Hydrophilic surface area

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Physicochemical Parameter Histograms

357
160140120100806040200
10
5
0
MR
Frequency
Human developmental toxicants - MR
160140120100806040200
10
5
0
MR
Positive
Negative
Human growth retardation - MR
Frequency
160140120100806040200
10
5
0
MR

Positive
Negative
Frequency
Human death - MR

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358

Human Developmental Toxicants
160140120100806040200
10
5
0
MR
Positive
Negative
Frequency
Human malformation - MR
160140120100806040200
10
5
0
MR
Positive
Negative
Frequency
Human functional deficit - MR
105

0
−5
10
5
0
Frequency
Human developmental toxicants - water solubility
Water solubility

7229_book.fm Page 358 Friday, June 30, 2006 3:08 PM
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Physicochemical Parameter Histograms

359
1050−5
10
5
0
Human growth retardation - water solubility
Positive
Negative
Frequency
Water solubility
1050−5
10
5
0
Frequency
Human death - water solubility

Positive
Negative
Water solubility
1050−5
10
5
0
Frequency
Positive
Negative
Human malformation - water solubility
Water solubility

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© 2007 by Taylor & Francis Group, LLC