From e77cc376aaff8ca481fdace6d5795c5b5feb0e87 Mon Sep 17 00:00:00 2001 From: Andreas Maunz Date: Mon, 20 Feb 2012 14:45:20 +0100 Subject: Added pc descriptor calc service --- java/docs/feature/HBA1.html | 94 +++++++++++++++++++++++++++++++++++++++++++++ 1 file changed, 94 insertions(+) create mode 100644 java/docs/feature/HBA1.html (limited to 'java/docs/feature/HBA1.html') diff --git a/java/docs/feature/HBA1.html b/java/docs/feature/HBA1.html new file mode 100644 index 0000000..6dcb012 --- /dev/null +++ b/java/docs/feature/HBA1.html @@ -0,0 +1,94 @@ +

Descriptor

Number of Hydrogen Bond Acceptors (HBA) 1

Number of Hydrogen Bond Acceptors (HBA) 1. +The default SMARTS pattern is: [$([!#6;+0]);!$([F,Cl,Br,I]);!$([o,s,nX3]);!$([Nv5,Pv5,Sv4,Sv6])].

		Next
		Bibliography

\ No newline at end of file -- cgit v1.2.3