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diff --git a/java/docs/feature/AtomInConjEnvironment.html b/java/docs/feature/AtomInConjEnvironment.html new file mode 100644 index 0000000..2a3289e --- /dev/null +++ b/java/docs/feature/AtomInConjEnvironment.html @@ -0,0 +1,184 @@ +<HTML +><HEAD +><TITLE +></TITLE +><META +NAME="GENERATOR" +CONTENT="Modular DocBook HTML Stylesheet Version 1.7"><LINK +REL="NEXT" +TITLE="Bibliography" +HREF="bibliography.html"></HEAD +><BODY +CLASS="ARTICLE" +BGCOLOR="#FFFFFF" +TEXT="#000000" +LINK="#0000FF" +VLINK="#840084" +ALINK="#0000FF" +><DIV +CLASS="ARTICLE" +><DIV +CLASS="SECT1" +><H1 +CLASS="SECT1" +><A +NAME="JOELIB.DESCRIPTOR" +></A +>Descriptor</H1 +><DIV +CLASS="SECT2" +><H2 +CLASS="SECT2" +><A +NAME="JOELIB.DESCRIPTORS.ATOMINCONJENVIRONMENT" +></A +>Atom in conjugated environment</H2 +><P +>Atom in conjugated environment. +<DIV +CLASS="TABLE" +><A +NAME="AEN7" +></A +><P +><B +>Table 1. SMARTS definitions for assigning the conjugated atom property flag</B +></P +><TABLE +BORDER="1" +CLASS="CALSTABLE" +><THEAD +><TR +><TH +WIDTH="50%" +ALIGN="LEFT" +VALIGN="TOP" +>SMARTS</TH +><TH +WIDTH="50%" +ALIGN="LEFT" +VALIGN="TOP" +>Description</TH +></TR +></THEAD +><TBODY +><TR +><TD +WIDTH="50%" +ALIGN="LEFT" +VALIGN="TOP" +>a</TD +><TD +WIDTH="50%" +ALIGN="LEFT" +VALIGN="TOP" +>Aromatic atoms</TD +></TR +><TR +><TD +WIDTH="50%" +ALIGN="LEFT" +VALIGN="TOP" +>*=,#*-,=*=,#*</TD +><TD +WIDTH="50%" +ALIGN="LEFT" +VALIGN="TOP" +>All butadien analogues</TD +></TR +><TR +><TD +WIDTH="50%" +ALIGN="LEFT" +VALIGN="TOP" +>[N,P,O,S]=,#*-[*;!H0]</TD +><TD +WIDTH="50%" +ALIGN="LEFT" +VALIGN="TOP" +>alpha, beta unsaturated (pi effect)</TD +></TR +><TR +><TD +WIDTH="50%" +ALIGN="LEFT" +VALIGN="TOP" +>*=,#*-[F,Cl,Br,I]</TD +><TD +WIDTH="50%" +ALIGN="LEFT" +VALIGN="TOP" +>alpha, beta unsaturated (sigma effect)</TD +></TR +><TR +><TD +WIDTH="50%" +ALIGN="LEFT" +VALIGN="TOP" +>*=,#*-[N,P,O,S;!H0]</TD +><TD +WIDTH="50%" +ALIGN="LEFT" +VALIGN="TOP" +>alpha, beta unsaturated (pi effect, tautomer)</TD +></TR +></TBODY +></TABLE +></DIV +></P +></DIV +></DIV +></DIV +><DIV +CLASS="NAVFOOTER" +><HR +ALIGN="LEFT" +WIDTH="100%"><TABLE +SUMMARY="Footer navigation table" +WIDTH="100%" +BORDER="0" +CELLPADDING="0" +CELLSPACING="0" +><TR +><TD +WIDTH="33%" +ALIGN="left" +VALIGN="top" +> </TD +><TD +WIDTH="34%" +ALIGN="center" +VALIGN="top" +> </TD +><TD +WIDTH="33%" +ALIGN="right" +VALIGN="top" +><A +HREF="bibliography.html" +ACCESSKEY="N" +>Next</A +></TD +></TR +><TR +><TD +WIDTH="33%" +ALIGN="left" +VALIGN="top" +> </TD +><TD +WIDTH="34%" +ALIGN="center" +VALIGN="top" +> </TD +><TD +WIDTH="33%" +ALIGN="right" +VALIGN="top" +>Bibliography</TD +></TR +></TABLE +></DIV +></BODY +></HTML +>
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