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initial pass at adding avalon fps to cartridge. needs more testing

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Greg Landrum
2014-08-16 06:31:01 +02:00
parent 43c143ec24
commit d4fe3825b1
8 changed files with 116 additions and 4 deletions
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Code/PgSQL/rdkit/sql/avalon.sql Normal file
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select tanimoto_sml(avalon_fp('c1ccccc1'::mol),avalon_fp('c1ccccc1'::mol));
select tanimoto_sml(avalon_fp('c1ccccc1'::mol),avalon_fp('c1ccccc1'::mol,true));
select tanimoto_sml(avalon_fp('c1ccccc1'::mol),avalon_fp('c1ccccn1'::mol));