nci_nearest_v.sql

REM nci_nearest_v.sql -- find nearest neighbors in nci95, verbosely
REM usage: nci_nearest_v.sql smiles_target nearest_neighbor_count

REM define display formats

set pagesize 9999
set linesize 512
column compound_id format 999999
column compound_id heading ID
column smiles heading SMILES
column smiles format a500

REM show start time
set timing on
select to_char(sysdate,'MM:DD:YYYY, HH:MI:SS' ) from dual;

REM select nearest neighbors

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

REM show final timings and exit
set timing off
select to_char(sysdate,'MM:DD:YYYY, HH:MI:SS' ) from dual;
exit