<?xml version='1.0' encoding='utf-8'?>
<oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
  <dc:contributor>Dora R. Passino-Reader</dc:contributor>
  <dc:creator>James P. Hickey</dc:creator>
  <dc:date>1991</dc:date>
  <dc:description>For the linear solvation energy relationship (LSER), values are listed for each of the variables (V&lt;sub&gt;i&lt;/sub&gt;/100, &amp;pi;*, &amp;beta&lt;sub&gt;m&lt;/sub&gt;, &amp;alpha;&lt;sub&gt;m&lt;/sub&gt;) for fundamental organic structures and functional groups. We give the guidelines to estimate LSER variable values quickly for a vast array of possible organic compounds such as those found in the environment. The difficulty in generating these variables has greatly discouraged the application of this quantitative structure-activity relationship (QSAR) method. This paper present the first compilation of molecular functional group values together with a utilitarian set of the LSER variable estimation rules. The availability of these variable values and rules should facilitate widespread application of LSER for hazard evaluation of environmental contaminants.</dc:description>
  <dc:format>application/pdf</dc:format>
  <dc:identifier>10.1021/es00022a012</dc:identifier>
  <dc:language>en</dc:language>
  <dc:publisher>ACS Publications</dc:publisher>
  <dc:title>Linear solvation energy relationships: "rule of thumb" for estimation of variable values</dc:title>
  <dc:type>article</dc:type>
</oai_dc:dc>