Main Title |
Analysis and trial application of correlation methodologies for predicting toxicity of organic chemicals / |
Author |
Craig, Paul N. ;
Waite., John H.
|
Other Authors |
|
CORP Author |
Franklin Inst. Research Labs., Philadelphia, Pa. Science Information Services Dept.;Environmental Protection Agency, Washington, D.C. Office of Toxic Substances. |
Publisher |
Franklin Institute Research Laboratories, |
Year Published |
1976 |
Report Number |
EPA-560/1-76-006; 68-01-2657; FIRL-F-C3947; EPA-68-01-2657 |
Stock Number |
PB-258 119 |
OCLC Number |
12766653 |
Subjects |
Organic compounds--Toxicology
|
Additional Subjects |
Chemical compounds ;
Toxicity ;
Physicochemical properties ;
Chemical properties ;
Molecular structure ;
Regression analysis ;
Pattern recognition ;
Correlation techniques ;
Discriminate analysis ;
Statistical analysis ;
Rats ;
Bioassay ;
Predictions ;
Toxic substances
|
Internet Access |
|
Holdings |
Library |
Call Number |
Additional Info |
Location |
Last Modified |
Checkout Status |
EJED |
EPA-560/1-76-006 |
|
OCSPP Chemical Library/Washington,DC |
07/30/1999 |
EKBD |
EPA-560/1-76-006 |
|
Research Triangle Park Library/RTP, NC |
07/25/2003 |
ELBD ARCHIVE |
EPA 560-1-76-006 |
Received from HQ |
AWBERC Library/Cincinnati,OH |
10/04/2023 |
ESAD |
EPA 560-1-76-006 |
|
Region 10 Library/Seattle,WA |
03/23/2010 |
NTIS |
PB-258 119 |
Some EPA libraries have a fiche copy filed under the call number shown. |
|
07/26/2022 |
|
Collation |
1 v. (various pagings) : ill. ; 28 cm. |
Abstract |
An index to the literature on structure-activity correlation methods was prepared and is available through NTIS (PB-240 658). A study of each of the major methods was made to determine requirements for application to toxicity data. Simultaneously a study was made of available toxicity data and of physical-chemical properties shown to be useful in correlation studies. These evaluations suggested that the structural fragments contained in chemical structures should be considered in structure-activity relationship studies as well as the n-octanol partition coefficients. A prototype toxicity data base was selected from the 1974 Toxic Substances list for 687 compounds for which oral LD50 values were reported in the rat or mouse. The use of discriminant and multiple regression analyses following preliminary clustering gave useful results, but a new extension of the method called 'substructural analysis' was used to predict the LD50 values in the rat. This method can readily be adapted to computer operation, and is recommended for extension to other sets of toxicity data. |
Notes |
"May 1976." "Contract no. 68-01-2657." |
Place Published |
Philadelphia, Pa. |
Supplementary Notes |
See also report dated Mar 75, PB-240 658. |
Highlights Notes |
Evaluates toxicity data and physical-chemical properties useful in correlation studies. |
Access Notes |
Also available via the World Wide Web. |
Corporate Au Added Ent |
Franklin Institute (Philadelphia, Pa.). Research Laboratories.; United States. Environmental Protection Agency. Office of Toxic Substances. |
NTIS Title Notes |
Final rept.. |
PUB Date Free Form |
May 76 |
Series Title Untraced |
Final report ; F-C3947 |
Category Codes |
6T; 57Y# |
NTIS Prices |
PC A04/MF A01 |
BIB Level |
m |
Cataloging Source |
OCLC/T |
Control Number |
326629590 |
OCLC Time Stamp |
20140227070714 |
Language |
eng |
Origin |
OCLC |
Type |
MERGE |
OCLC Rec Leader |
01343cam 2200325Ia 45020 |