nci_similar_sm.sql


REM nci_similar_sm.sql -- find similar structures using svrmgrl (not sqlplus)
REM usage: nci_similar_sm.sql smiles_target tanimoto_threshold

REM -- connect to server and turn on timing

connect descarte
set timing on

REM -- select similar structures and also show similarity

select compound_id, Score(1), smiles
from COMPOUND_118616
where Similar(smiles,'&1',&2,1)=1;

REM -- turn off and show timing

set timing off
exit

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