Define MACCS 166 Bit 44 definition - see http://www.dalkescientific.c…

…om/writings/diary/archive/2014/10/17/maccs_key_44.html Change-Id: If22edf2444ff6be0103c9130ebe04eafb88dbb3b Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
cdk · Nov 9, 2014 · c564128 · c564128
1 parent b96674b
commit c564128
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/descriptor/fingerprint/src/main/resources/org/openscience/cdk/fingerprint/data/maccs.txt b/descriptor/fingerprint/src/main/resources/org/openscience/cdk/fingerprint/data/maccs.txt
@@ -71,7 +71,7 @@
 41 [#6]#[#7] 0 |CTN
 42 F 0 |F
 43 [!C;!c;!#1;!H0]~*~[!C;!c;!#1;!H0] 0 |QHAQH
-44 ? 0 |OTHER
+44 [!#1;!#6;!#7;!#8;!#9;!#14;!#15;!#16;!#17;!#35;!#53] 0 |OTHER
 45 [#6]=[#6]~[#7] 0 |C=CN
 46 Br 0 |BR
 47 [#16]~*~[#7] 0 |SAN