Update SMARTS pattern for countable MACCS fps: aromatic 6-ring

cdk · Jun 24, 2018 · 08145ec · 08145ec
1 parent c83b514
commit 08145ec
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/...t/src/main/resources/org/openscience/cdk/fingerprint/data/SMARTS_countable_MACCS_keys.txt b/...t/src/main/resources/org/openscience/cdk/fingerprint/data/SMARTS_countable_MACCS_keys.txt
@@ -109,8 +109,8 @@ MACCS_ID_121: [#7;R]
 MACCS_ID_122: [#7](~*)(~*)~*
 MACCS_ID_123: [#8]~[#6]~[#8]
 MACCS_ID_124_and_130: [!#6;!#1]~[!#6;!#1]
-# Aromatic rings. Currently ignores, as not countable via simple matching?
-# MACCS_ID_125: [!*]
+# Aromatic rings. Original pattern: [!*]
+MACCS_ID_125: [aR]1:@a:@a:@a:@a:@a:@1
 MACCS_ID_126: [#8](!@*)!@*
 MACCS_ID_127_and_143: [#8]!@[R]@*
 MACCS_ID_128: [#6H2](~*~*~*~[#6H2]~*)~*