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Table 1 The QSAR models cited by respondents

From: Use and perceived benefits and barriers of QSAR models for REACH: findings from a questionnaire to stakeholders

Model, method, software that have been used or tested

 

Number of citations

 

ACACON

REGUL

INDUS

 

Σ

(12 of 13 subjects replied)

(10 of 12 subjects replied)

(6 of 8 subjects replied)

OECD QSAR Toolbox

16

7

6

3

EPI, EPI Suite, EPI Win

16

7

5

4

CAESAR

7

3

2

2

Leadscope

4

3

 

1

ECOSAR

5

2

3 

 

SPARC

5

2

3

 

Toxtree

5

2

 

 3 

Topkat

3

1

2

 

DEREK

4

1

1

2

ACD/Tox Suite

3

1

1

1

ToxBoxes

2

1

1

 

EQUATIONS from LITERATURE

2

1

1

 

OWN INTERNAL MODELS

2

1

1

 

Lazar

2

1

 

1

MultiCase

1

1

 

1

ChemAxon Marvin

1

1

  

Macromodel

1

1

  

Molcode Toolbox

1

1

  

OncoLogic

1

1

  

Sybyl

1

1

  

Danish EPA QSAR database

3

 

3

 

LMC Oasis including CataLogic

3

 

3

 

ChemCan

1

 

1

 

ChemSteer

1

 

1

 

EQC

1

 

1

 

PBKB (SimCYP & MCSim)

1

 

1

 

PBT Profiler

1

 

1

 

SoilFug

1

 

1