We have included a sample ISIS/Base database with a few entries. Please download the file and create your own ISIS/Base databases. If you register all data, your databases will be full with ca. 80'000-100'000 structures.

Click here to download the AKos Samples ISIS/Base database.

You can use ISIS/Base or ISIS/Host (MDL ISIS Enterprise or Standard Edition) to build databases. The advantage with ISIS/Host is that you can easily concatenate databases with the simple command database1+database2 +..: databaseN.

You can use the following file to create an ISIS/Host database with RCEXEC. This particular database would allow duplicate structures.

CREATE DATABASE akh0706/akh0706 TNAME akh0706
MOLECULES
CTAB
DATA TABLES TABLESPACE akh0706
INDEX TABLES TABLESPACE akh0706
FASTSEARCH
TEXT2DKEYS NOSUBSET SEARCHABLE
FORMULA CALCULATED NOUSERUPDATE
MOLWEIGHT CALCULATED NOUSERUPDATE
EXTREG COMPOUND_ID 'VARCHAR2(40)' INDEX UNIQUE
MOLECULE_DATE UPDATE_DATE CALCULATED NOUSERUPDATE
USERDATA SUPPLIERIDNUMBER 'VARCHAR2(4000)'
USERDATA SUPPLIER 'VARCHAR2(4000)'
USERDATA NEWNAME_ID 'VarCHAR2(4000)'
USERDATA DUPLICATE_ID 'VARCHAR2(4000)'
USERDATA SALTDATA 'VARCHAR2(4000)'
USERDATA AUTONOM_NAME 'VARCHAR2(4000)'
USERDATA AVAILABILITY 'NUMBER'
USERDATA QUANTITYONSTOCK 'NUMBER'
USERDATA RESYNTHESISREQUIRED 'VARCHAR2(4000)'
USERDATA BUILDINGBLOCK 'VARCHAR2(4000)'
USERDATA PASS_DRUG_LIKENESS 'NUMBER'
USERDATA PASS_MNA_NEW_COUNT 'NUMBER'
USERDATA PASS_KNOWN_ACTIVITIES 'CLOB'
USERDATA PASS_EFFECTS 'CLOB'
USERDATA PASS_MECHANISMS 'CLOB'
USERDATA PASS_TOXICITY 'CLOB'
USERDATA PASS_METABOLISM 'CLOB'
USERDATA COMMENT 'VARCHAR2(4000)'
USERDATA CANONICAL_SMILES 'VARCHAR2(4000)'
USERDATA SOURCESDFILE 'VARCHAR2(4000)'
USERDATA ORDERED_BY 'VARCHAR2(4000)'
USERDATA PURITY 'NUMBER'
USERDATA PRICECLASS 'VARCHAR2(4000)'
UserDATA ADDINFO 'VARCHAR2(4000)'
;
 

For more information on the use of the MDL mol keys click here.