2008
DOI: 10.1021/tx8001725
|View full text |Cite
|
Sign up to set email alerts
|

Structure−Activity Relationship Analysis of Rat Mammary Carcinogens

Abstract: Structure-activity relationship (SAR) models are powerful tools to investigate the mechanisms of action of chemical carcinogens and to predict the potential carcinogenicity of untested compounds. We describe here the application of the cat-SAR (categorical-SAR) program to two learning sets of rat mammary carcinogens. One set of developed models was based on a comparison of rat mammary carcinogens to rat noncarcinogens (MC-NC), and the second set compared rat mammary carcinogens to rat nonmammary carcinogens (M… Show more

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...
1
1
1
1

Citation Types

1
17
0

Year Published

2009
2009
2020
2020

Publication Types

Select...
3
3
1

Relationship

1
6

Authors

Journals

citations
Cited by 14 publications
(18 citation statements)
references
References 50 publications
1
17
0
Order By: Relevance
“…As in previous cat-SAR models [14,17,18], chemical fragments that serve as valuable descriptors of activity/inactivity were identified and retained. However, there remained a high degree of redundancy between many of these fragments (based on similar chemical structures and derivation from mostly the same compounds).…”
Section: Methodsmentioning
confidence: 99%
See 1 more Smart Citation
“…As in previous cat-SAR models [14,17,18], chemical fragments that serve as valuable descriptors of activity/inactivity were identified and retained. However, there remained a high degree of redundancy between many of these fragments (based on similar chemical structures and derivation from mostly the same compounds).…”
Section: Methodsmentioning
confidence: 99%
“…This method includes the ability to examine the entire fragment base, investigate and optimize the fragments that have hypothetical biological relevance. In previous analyses, the cat-SAR program was able to achieve an overall concordance between observed and predicted values of 92% for a set of chemicals assessed for their ability to induce respiratory hypersensitivity [13] and 78%–84% for a set of rat mammary carcinogens [14]. …”
Section: Introductionmentioning
confidence: 99%
“…As in previous cat-SAR models (Cunningham, Carrasquer, & Mattison, 2009;Cunningham et al, 2008;Qamar, Carrasquer, Cunningham, & Cunningham, 2011), …”
Section: In Silico Chemical Fragmentation and Fragment Clusteringmentioning
confidence: 60%
“…This method includes the ability to examine the entire fragment base, investigate and optimize the fragments that have hypothetical biological relevance. In previous analyses, the cat-SAR program was able to achieve an overall concordance between observed and predicted values of 92% for a set of chemicals assessed for their ability to induce respiratory hypersensitivity (Cunningham et al, 2005) and 78%-84% for a set of rat mammary carcinogens (Cunningham et al, 2008).…”
Section: Discussionmentioning
confidence: 87%
See 1 more Smart Citation