Daybase (DayCart)

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Daybase (DayCart)
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Introduction

• What is Daybase ?
• Oracle Schema Objects.
• Oracle Datatypes.
• Simple Example.
• Demo.

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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.

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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.

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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).

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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.

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Simple Supplier Schema
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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)
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The STRUCTURE Table
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The Structure/Supplier Table
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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.

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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.

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Thanks

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

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DEMO