Title: Daybase (DayCart)
1Daybase (DayCart)
2Introduction
- What is Daybase ?
- Oracle Schema Objects.
- Oracle Datatypes.
- Simple Example.
- Demo.
3Oracle Schema Objects
- Tables.
- Tables are the basic unit of data storage. Data
is stored in rows and columns. - Views.
- View is a tailored presentation of the data
contained in one or more tables (or other views). - Indexes.
- Indexes are optional structures associated with
tables. You can create indexes explicitly to
speed SQL statement execution on a table.
4Oracle Schema Objects
- Sequences.
- Please read the Oracle Server Concept manual.
- Synonyms.
- Please read the Oracle Server Concept manual.
- Clusters.
- Please read the Oracle Server Concept manual.
- Hash Clusters.
- Please read the Oracle Server Concept manual.
5Oracle Datatypes
- CHAR.
- The CHAR datatype stores fixed-length character
strings. - VARCHAR2 (VARCHAR).
- The VARCHAR2 datatype stores variable-length
character strings. - NUMBER.
- The NUMBER datatype stores fixed and
floating-point numbers. You can optionally
specify a precision (total number of digits) and
scale (number of digits to the right of decimal
point).
6Oracle Datatypes
- DATE.
- The DATE datatype stores point-in-time values
(dates and time) in a table. - LONG
- Stores variable-length character data, up to two
gigabytes of information. - RAW and LONG RAW.
- Stores variable-length character and binary data.
- ROWID.
- Please read the Oracle Datatypes Concept manual.
7Simple Supplier Schema
8Oracle Table Definitions
TableSTRUCTURE Name Null? Type --------------
--------------------------------------------------
--------------------------------- STR_ID NOT
NULL NUMBER(7) SMILES NOT NULL VARCHAR(700) MF
VARCHAR(200) MWT NUMBER(12,6) CLOGP
NUMBER(12,6) TableSUPPLIER Name Null? Type
--------------------------------------------------
----------------------------------------------- ST
R_ID NOT NULL NUMBER(7) SUP_ID NOT
NULL VARCHAR(80) SUP_NAME NOT
NULL NUMBER(200) COST NOT NULL NUMBER(10,5)
9The STRUCTURE Table
10The Structure/Supplier Table
11What are the steps
- Design the data model.
- Consider input, access and modification of your
data. - Consider how chemical data is going to be
searched. - 2D coordinates.
- Connection table (Molfile, RXNfile, TGFfile
etc). - SMILES column size (what to use?).
- 700 bytes or less , Oracle will allow you to put
unique indexes and blob-based index. This may or
may-not be important to you. - greater than 700 bytes you can use blob-based
index. - Design the database schema.
12What are the steps
- Indexes for normal column data.
- Indexes for chemical structure data
- i.e. ddexact, ddgraph, ddblob etc.
- Create PL/SQL program to load the data. If the
data is formatted you may be able to use
sqlldr command to load the tables. - For data from SD files use mol2smi procedure.
- Application/tools for the user to search and
display of this data.
13Thanks
- Daylight team
- Bernd Rohde (Novartis)
- Michael Wainwright (Modgraph)
14DEMO