Switch to
| Predicate | Object |
|---|---|
| rdf:type | |
| lifeskim:mentions | |
| pubmed:issue |
7
|
| pubmed:dateCreated |
1982-10-21
|
| pubmed:abstractText |
Pattern-recognition techniques have been applied to the study of relationships between the molecular structure of nitrosamines and their carcinogenic potential. A set of 150 nitrosamines (112 carcinogenic and 38 noncarcinogenic) was used. Each compound was represented by a set of calculated molecular structure descriptors. Discriminants were found that could separate 146 of the compounds into the two activity classes based on a set of 22 descriptors. Internal consistency checking showed that the 22 descriptors used supported a meaningful discriminant. The results show that sufficient information is contained within the structure of N-nitroso compounds to allow classification into carcinogenic activity classes.
|
| pubmed:grant | |
| pubmed:language |
eng
|
| pubmed:journal | |
| pubmed:citationSubset |
IM
|
| pubmed:chemical | |
| pubmed:status |
MEDLINE
|
| pubmed:month |
Jul
|
| pubmed:issn |
0022-2623
|
| pubmed:author | |
| pubmed:issnType |
Print
|
| pubmed:volume |
25
|
| pubmed:owner |
NLM
|
| pubmed:authorsComplete |
Y
|
| pubmed:pagination |
769-76
|
| pubmed:dateRevised |
2007-11-14
|
| pubmed:meshHeading | |
| pubmed:year |
1982
|
| pubmed:articleTitle |
Computer-assisted studies of structure-activity relationships of N-nitroso compounds using pattern recognition.
|
| pubmed:publicationType |
Journal Article,
Research Support, U.S. Gov't, P.H.S.,
Research Support, U.S. Gov't, Non-P.H.S.
|