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Daybase (DayCart)

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... less , Oracle will allow you to put unique indexes and blob-based index. ... greater than 700 bytes you can use blob-based index. Design the database schema. ... – PowerPoint PPT presentation

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Title: Daybase (DayCart)


1
Daybase (DayCart)
2
Introduction
  • What is Daybase ?
  • Oracle Schema Objects.
  • Oracle Datatypes.
  • Simple Example.
  • Demo.

3
Oracle 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.

4
Oracle 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.

5
Oracle 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).

6
Oracle 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.

7
Simple Supplier Schema
8
Oracle 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)
9
The STRUCTURE Table
10
The Structure/Supplier Table
11
What 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.

12
What 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.

13
Thanks
  • Daylight team
  • Bernd Rohde (Novartis)
  • Michael Wainwright (Modgraph)

14
DEMO
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